3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide

Systemtic Name: 3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[1-[4-(1-piperidyl)phenyl]ethyl]benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[1-[4-(1-piperidinyl)phenyl]ethyl]benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide Traditional Name: 3-[(4-besylpiperazino)methyl]-N-[1-(4-piperidinophenyl)ethyl]benzamide Formula: C31H38N4O3S MolecularWeight: 546.72342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CCCCC2)NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CCCCC2)NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H38N4O3S/c1-25(27-13-15-29(16-14-27)34-17-6-3-7-18-34)32-31(36)28-10-8-9-26(23-28)24-33-19-21-35(22-20-33)39(37,38)30-11-4-2-5-12-30/h2,4-5,8-16,23,25H,3,6-7,17-22,24H2,1H3,(H,32,36)