N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenyl-benzamide

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenyl-benzamide Openeye Name: N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]-4-phenyl-benzamide CAS Name: N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]-4-phenylbenzamide IUPAC Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbenzamide Traditional Name: N-[3-[4-(m-tolyl)piperazino]sulfonylpropyl]-4-phenyl-benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

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