
 BDBM50353645

 56 58  0  0  0  0  0  0  0  0999 V2000
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    5.5672    2.7816    3.3127 C   0  0  0  0  0
    6.1488    3.7390    4.1549 C   0  0  0  0  0
    6.6813    3.3723    5.4017 C   0  0  0  0  0
    6.6418    2.0297    5.7940 C   0  0  0  0  0
    6.0750    1.0702    4.9576 C   0  0  0  0  0
    5.5340    1.4443    3.7281 C   0  0  0  0  0
    7.2454    4.4229    6.3290 C   0  0  0  0  0
    6.1429    5.0580    7.1781 C   0  0  0  0  0
    6.6534    6.0401    8.1326 N   0  0  0  0  0
    7.2624    7.5300    7.6997 S   0  0  0  0  0
    7.5984    8.1934    8.9395 O   0  0  0  0  0
    8.2453    7.3508    6.6551 O   0  0  0  0  0
    5.8622    8.3666    6.9939 C   0  0  0  0  0
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    4.5356    8.9242    5.0502 C   0  0  0  0  0
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    4.0467    9.9458    7.1939 C   0  0  0  0  0
    5.0990    9.2363    7.7789 C   0  0  0  0  0
    2.4778   10.6683    5.1182 Cl  0  0  0  0  0
    6.9709    3.7827   -2.5763 H   0  0  0  0  0
    6.6363    3.1467   -4.1887 H   0  0  0  0  0
    7.1208    2.0442   -2.8953 H   0  0  0  0  0
    4.5349    3.6774   -3.0375 H   0  0  0  0  0
    4.9717    0.6745   -3.4314 H   0  0  0  0  0
    4.5057    1.8592   -4.6548 H   0  0  0  0  0
    3.3924    1.4753   -3.3360 H   0  0  0  0  0
    3.7654    2.3221   -1.0366 H   0  0  0  0  0
    6.7318    1.2427    1.2211 H   0  0  0  0  0
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    6.7695    4.0166    1.0662 H   0  0  0  0  0
    4.1603    2.4875    1.7296 H   0  0  0  0  0
    4.4645    4.1534    2.1205 H   0  0  0  0  0
    6.1755    4.7828    3.8452 H   0  0  0  0  0
    7.0492    1.7222    6.7546 H   0  0  0  0  0
    6.0479    0.0282    5.2668 H   0  0  0  0  0
    5.0853    0.6793    3.0975 H   0  0  0  0  0
    7.7597    5.1712    5.7186 H   0  0  0  0  0
    8.0156    3.9813    6.9738 H   0  0  0  0  0
    5.6342    4.2776    7.7591 H   0  0  0  0  0
    5.3681    5.5103    6.5514 H   0  0  0  0  0
    6.6881    5.8199    9.1265 H   0  0  0  0  0
    6.2092    7.5711    5.0070 H   0  0  0  0  0
    4.3238    8.8102    3.9898 H   0  0  0  0  0
    3.4567   10.6313    7.7975 H   0  0  0  0  0
    5.3250    9.3801    8.8334 H   0  0  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
BDBM50353645

>  <PubChem CID>
91930816

>  <Formula>
C23H26ClNO4S

>  <Molecular Weight>
447.974000

>  <IUPAC Name>
4-chloro-N-[2-[3-[(2,4-dioxo-3-propan-2-ylcyclopentyl)methyl]phenyl]ethyl]benzenesulfonamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1C(=O)CC(C1=O)CC2=CC(=CC=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC(C)C1C(=O)CC(C1=O)CC2=CC(=CC=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C23H26ClNO4S/c1-15(2)22-21(26)14-18(23(22)27)13-17-5-3-4-16(12-17)10-11-25-30(28,29)20-8-6-19(24)7-9-20/h3-9,12,15,18,22,25H,10-11,13-14H2,1-2H3

>  <InChI Key>
OPEWMNDONAGISI-UHFFFAOYSA-N

