4-[4-[[2-(4-chlorophenyl)-6-(2-dimethylaminoethyloxy)phenyl]methyl]piperazin-1-yl]-2-(1H-indol-4-yloxy)-N-(3-nitrophenyl)sulfonyl-benzamide

Systemtic Name: 4-[4-[[2-(4-chlorophenyl)-6-(2-dimethylaminoethyloxy)phenyl]methyl]piperazin-1-yl]-2-(1H-indol-4-yloxy)-N-(3-nitrophenyl)sulfonyl-benzamide Openeye Name: 4-[4-[[2-(4-chlorophenyl)-6-(2-dimethylaminoethyloxy)phenyl]methyl]piperazin-1-yl]-2-(1H-indol-4-yloxy)-N-(3-nitrophenyl)sulfonyl-benzamide CAS Name: 4-[4-[[2-(4-chlorophenyl)-6-(2-dimethylaminoethyloxy)phenyl]methyl]-1-piperazinyl]-2-(1H-indol-4-yloxy)-N-(3-nitrophenyl)sulfonylbenzamide IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-6-(2-dimethylaminoethyloxy)phenyl]methyl]piperazin-1-yl]-2-(1H-indol-4-yloxy)-N-(3-nitrophenyl)sulfonylbenzamide Traditional Name: 4-[4-[2-(4-chlorophenyl)-6-(2-dimethylaminoethyloxy)benzyl]piperazino]-2-(1H-indol-4-yloxy)-N-(3-nitrophenyl)sulfonyl-benzamide Formula: C42H41ClN6O7S MolecularWeight: 809.32894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=CC(=C1CN2CCN(CC2)C3=CC(=C(C=C3)C(=O)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])OC5=CC=CC6=C5C=CN6)C7=CC=C(C=C7)Cl

Isomeric SMILES

CN(C)CCOC1=CC=CC(=C1CN2CCN(CC2)C3=CC(=C(C=C3)C(=O)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])OC5=CC=CC6=C5C=CN6)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C42H41ClN6O7S/c1-46(2)24-25-55-39-10-4-8-34(29-12-14-30(43)15-13-29)37(39)28-47-20-22-48(23-21-47)31-16-17-36(41(27-31)56-40-11-5-9-38-35(40)18-19-44-38)42(50)45-57(53,54)33-7-3-6-32(26-33)49(51)52/h3-19,26-27,44H,20-25,28H2,1-2H3,(H,45,50)