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

Systemtic Name: 4-[[3,6-bis[(E)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]indol-1-yl]methyl]-N-(2-chlorophenyl)sulfonyl-3-methoxy-benzamide Openeye Name: 4-[[3,6-bis[(E)-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]indol-1-yl]methyl]-N-(2-chlorophenyl)sulfonyl-3-methoxy-benzamide CAS Name: 4-[[3,6-bis[(E)-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]-1-indolyl]methyl]-N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide IUPAC Name: 4-[[3,6-bis[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]indol-1-yl]methyl]-N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide Traditional Name: 4-[[3,6-bis[(E)-3-keto-3-pyrrolidino-prop-1-enyl]indol-1-yl]methyl]-N-(2-chlorophenyl)sulfonyl-3-methoxy-benzamide Formula: C37H37ClN4O6S MolecularWeight: 701.23088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2Cl)CN3C=C(C4=C3C=C(C=C4)C=CC(=O)N5CCCC5)C=CC(=O)N6CCCC6

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2Cl)CN3C=C(C4=C3C=C(C=C4)/C=C/C(=O)N5CCCC5)/C=C/C(=O)N6CCCC6

InChI

InChI=1S/C37H37ClN4O6S/c1-48-33-23-27(37(45)39-49(46,47)34-9-3-2-8-31(34)38)12-13-29(33)25-42-24-28(14-17-36(44)41-20-6-7-21-41)30-15-10-26(22-32(30)42)11-16-35(43)40-18-4-5-19-40/h2-3,8-17,22-24H,4-7,18-21,25H2,1H3,(H,39,45)/b16-11+,17-14+