
 SMR000094367

 59 61  0  0  0  0  0  0  0  0999 V2000
    1.1497    0.2748    0.7040 C   0  0  0  0  0
    2.2153   -0.1495   -0.2633 C   0  0  0  0  0
    2.2928    0.4149   -1.5397 C   0  0  0  0  0
    3.2958    0.0222   -2.4371 C   0  0  0  0  0
    4.2757   -0.8908   -2.0187 C   0  0  0  0  0
    4.2393   -1.4264   -0.7293 C   0  0  0  0  0
    3.1792   -1.0875    0.1229 C   0  0  0  0  0
    5.2215   -2.4310   -0.3557 N   0  0  0  0  0
    5.7163   -2.3394    1.0495 C   0  0  0  0  0
    7.2175   -2.1235    1.0648 C   0  0  0  0  0
    8.0070   -3.0412    1.2661 O   0  0  0  0  0
    7.6034   -0.8122    0.8843 N   0  0  0  0  0
    8.9877   -0.4046    0.9564 C   0  0  0  0  0
    9.6040   -0.2992   -0.4101 C   0  0  0  0  0
    9.5531    0.9058   -1.1253 C   0  0  0  0  0
   10.0949    1.0008   -2.4094 C   0  0  0  0  0
   10.7189   -0.1100   -2.9768 C   0  0  0  0  0
   10.7762   -1.3152   -2.2729 C   0  0  0  0  0
   10.2152   -1.4118   -0.9999 C   0  0  0  0  0
    9.9818    2.2326   -2.9940 O   0  0  0  0  0
   10.0193    2.2459   -4.4164 C   0  0  0  0  0
    4.6902   -4.0094   -0.8030 S   0  0  0  0  0
    3.5804   -4.3454    0.0653 O   0  0  0  0  0
    4.5575   -4.0758   -2.2438 O   0  0  0  0  0
    5.8844   -5.1792   -0.4507 C   0  0  0  0  0
    5.8226   -6.2514    0.4120 C   0  0  0  0  0
    7.0072   -6.9225    0.3538 O   0  0  0  0  0
    7.8466   -6.3131   -0.5549 N   0  0  0  0  0
    7.1677   -5.2643   -1.0379 C   0  0  0  0  0
    7.7999   -4.3890   -2.0512 C   0  0  0  0  0
    4.8341   -6.8328    1.3412 C   0  0  0  0  0
    3.3299    0.6093   -3.8180 C   0  0  0  0  0
    0.8034   -0.5771    1.2986 H   0  0  0  0  0
    0.2794    0.6855    0.1823 H   0  0  0  0  0
    1.5464    1.0401    1.3791 H   0  0  0  0  0
    1.5502    1.1486   -1.8504 H   0  0  0  0  0
    5.0586   -1.1993   -2.7083 H   0  0  0  0  0
    3.0835   -1.5592    1.0978 H   0  0  0  0  0
    5.4894   -3.2378    1.6322 H   0  0  0  0  0
    5.2688   -1.5065    1.6027 H   0  0  0  0  0
    6.9410   -0.1667    0.4698 H   0  0  0  0  0
    9.5588   -1.0994    1.5829 H   0  0  0  0  0
    9.0130    0.5696    1.4579 H   0  0  0  0  0
    9.0840    1.7840   -0.6872 H   0  0  0  0  0
   11.1830   -0.0649   -3.9562 H   0  0  0  0  0
   11.2633   -2.1809   -2.7150 H   0  0  0  0  0
   10.2584   -2.3598   -0.4645 H   0  0  0  0  0
    9.7593    3.2563   -4.7463 H   0  0  0  0  0
    9.2795    1.5560   -4.8372 H   0  0  0  0  0
   11.0237    2.0239   -4.7897 H   0  0  0  0  0
    7.1499   -4.2616   -2.9212 H   0  0  0  0  0
    8.7467   -4.8098   -2.4071 H   0  0  0  0  0
    8.0080   -3.4037   -1.6271 H   0  0  0  0  0
    3.8411   -6.3928    1.2459 H   0  0  0  0  0
    5.1645   -6.6978    2.3761 H   0  0  0  0  0
    4.7287   -7.9072    1.1571 H   0  0  0  0  0
    3.8776   -0.0380   -4.5104 H   0  0  0  0  0
    3.8104    1.5919   -3.7965 H   0  0  0  0  0
    2.3139    0.7191   -4.2136 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 38  1  0  0  0
  8 22  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 25  1  0  0  0
 22 24  2  0  0  0
 22 23  2  0  0  0
 25 29  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 29 30  1  0  0  0
 30 51  1  0  0  0
 30 52  1  0  0  0
 30 53  1  0  0  0
 31 54  1  0  0  0
 31 55  1  0  0  0
 31 56  1  0  0  0
 32 57  1  0  0  0
 32 58  1  0  0  0
 32 59  1  0  0  0
M  END

>  <Chemical Name>
SMR000094367

>  <PubChem CID>
5308908

>  <Formula>
C23H27N3O5S

>  <Molecular Weight>
457.545000

>  <IUPAC Name>
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-[(3-methoxyphenyl)methyl]acetamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=CC(=C1)N(CC(=O)NCC2=CC(=CC=C2)OC)S(=O)(=O)C3=C(ON=C3C)C)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)N(CC(=O)NCC2=CC(=CC=C2)OC)S(=O)(=O)C3=C(ON=C3C)C)C

>  <InChI Std. ID>
InChI=1S/C23H27N3O5S/c1-15-9-16(2)11-20(10-15)26(32(28,29)23-17(3)25-31-18(23)4)14-22(27)24-13-19-7-6-8-21(12-19)30-5/h6-12H,13-14H2,1-5H3,(H,24,27)

>  <InChI Key>
AWZYKXWLZVIQJJ-UHFFFAOYSA-N

