3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide Openeye Name: 3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[1-[4-(1-pyrrolidinyl)phenyl]ethyl]benzamide IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide Traditional Name: N-[1-(4-pyrrolidinophenyl)ethyl]-3-[(4-tosylpiperazino)methyl]benzamide Formula: C31H38N4O3S MolecularWeight: 546.72342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC(C)C4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC(C)C4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C31H38N4O3S/c1-24-8-14-30(15-9-24)39(37,38)35-20-18-33(19-21-35)23-26-6-5-7-28(22-26)31(36)32-25(2)27-10-12-29(13-11-27)34-16-3-4-17-34/h5-15,22,25H,3-4,16-21,23H2,1-2H3,(H,32,36)