
 SCHEMBL6530751

 50 53  0  0  0  0  0  0  0  0999 V2000
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    3.2698   -0.7141   -3.6172 C   0  0  0  0  0
    2.9602   -2.0395   -3.3929 C   0  0  0  0  0
    2.9337   -2.6844   -4.6019 N   0  0  0  0  0
    3.3063   -1.8358   -5.6241 C   0  0  0  0  0
    3.5050   -0.5767   -5.0306 C   0  0  0  0  0
    3.8735    0.4969   -5.8761 C   0  0  0  0  0
    4.0614    0.3077   -7.2510 C   0  0  0  0  0
    3.8687   -0.9503   -7.8034 C   0  0  0  0  0
    3.4879   -2.0348   -7.0055 C   0  0  0  0  0
    4.4338    1.4356   -7.9311 O   0  0  0  0  0
    4.6536    1.3013   -9.3300 C   0  0  0  0  0
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    1.8452   -4.7144   -3.6079 O   0  0  0  0  0
    2.3277   -4.6569   -6.0946 O   0  0  0  0  0
    4.2868   -5.1197   -4.4317 C   0  0  0  0  0
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    7.9670   -6.9282   -3.7294 O   0  0  0  0  0
    8.0644   -8.3476   -3.7817 C   0  0  0  0  0
    5.7481    2.0138    0.2872 H   0  0  0  0  0
    6.5531    1.9205   -1.2711 H   0  0  0  0  0
    5.7251    0.4874   -0.6237 H   0  0  0  0  0
    5.3022    1.1043   -3.1221 H   0  0  0  0  0
    3.9075    2.1695   -3.3939 H   0  0  0  0  0
    2.4896    2.3487   -0.6473 H   0  0  0  0  0
    3.4734    1.3182    0.4052 H   0  0  0  0  0
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    7.5720   -8.8143   -2.9232 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6530751

>  <PubChem CID>
11327950

>  <Formula>
C21H21ClN2O4S

>  <Molecular Weight>
432.919000

>  <IUPAC Name>
3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-methoxyphenyl)sulfonylindole

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CC(=C(C1)Cl)C2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CN1CC(=C(C1)Cl)C2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C21H21ClN2O4S/c1-23-11-19(20(22)13-23)18-12-24(21-9-6-15(28-3)10-17(18)21)29(25,26)16-7-4-14(27-2)5-8-16/h4-10,12H,11,13H2,1-3H3

>  <InChI Key>
BZMIEAZWZMSACC-UHFFFAOYSA-N

