3-(4-methylphenyl)sulfonyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]propanamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]propanamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-3-tosyl-propionamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-22-7-13-26(14-8-22)34(32,33)20-15-27(31)28-24-9-11-25(12-10-24)30-18-16-29(17-19-30)21-23-5-3-2-4-6-23/h2-14H,15-21H2,1H3,(H,28,31)