4-[[3,6-bis[(E)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonyl-benzamide

Systemtic Name: 4-[[3,6-bis[(E)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonyl-benzamide Openeye Name: 4-[[3,6-bis[(E)-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-N-(o-tolylsulfonyl)benzamide CAS Name: 4-[[3,6-bis[(E)-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]-1-indolyl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide IUPAC Name: 4-[[3,6-bis[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]indol-1-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide Traditional Name: 4-[[3,6-bis[(E)-3-keto-3-pyrrolidino-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-N-(o-tolylsulfonyl)benzamide Formula: C38H40N4O6S MolecularWeight: 680.8124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CN3C=C(C4=C3C=C(C=C4)C=CC(=O)N5CCCC5)C=CC(=O)N6CCCC6)OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CN3C=C(C4=C3C=C(C=C4)/C=C/C(=O)N5CCCC5)/C=C/C(=O)N6CCCC6)OC

InChI

InChI=1S/C38H40N4O6S/c1-27-9-3-4-10-35(27)49(46,47)39-38(45)29-13-14-31(34(24-29)48-2)26-42-25-30(15-18-37(44)41-21-7-8-22-41)32-16-11-28(23-33(32)42)12-17-36(43)40-19-5-6-20-40/h3-4,9-18,23-25H,5-8,19-22,26H2,1-2H3,(H,39,45)/b17-12+,18-15+