[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]-(4-octylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]-(4-octylsulfonylpiperazin-1-yl)methanone Openeye Name: [1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]-(4-octylsulfonylpiperazin-1-yl)methanone CAS Name: [1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-3-pyrrolyl]-(4-octylsulfonyl-1-piperazinyl)methanone IUPAC Name: [1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-(4-octylsulfonylpiperazin-1-yl)methanone Traditional Name: [1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]-(4-octylsulfonylpiperazino)methanone Formula: C31H40ClN3O4S MolecularWeight: 586.185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4Cl)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C31H40ClN3O4S/c1-4-5-6-7-8-11-22-40(37,38)34-20-18-33(19-21-34)31(36)27-23-30(25-14-16-26(39-3)17-15-25)35(24(27)2)29-13-10-9-12-28(29)32/h9-10,12-17,23H,4-8,11,18-22H2,1-3H3