(2S)-N-(4-methylphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazino)-N-(p-tolyl)propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-17-8-10-20(11-9-17)22-21(25)18(2)23-12-14-24(15-13-23)28(26,27)16-19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3,(H,22,25)/t18-/m0/s1