N-[(4-methylphenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(p-tolylmethyl)propanamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide Traditional Name: 2-(4-besylpiperazino)-N-(4-methylbenzyl)propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-17-8-10-19(11-9-17)16-22-21(25)18(2)23-12-14-24(15-13-23)28(26,27)20-6-4-3-5-7-20/h3-11,18H,12-16H2,1-2H3,(H,22,25)