(3S)-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-1-(phenylmethyl)piperazin-2-one

Systemtic Name: (3S)-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-1-(phenylmethyl)piperazin-2-one Openeye Name: (3S)-1-benzyl-3-isobutyl-4-(p-tolylsulfonyl)piperazin-2-one CAS Name: (3S)-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-1-(phenylmethyl)-2-piperazinone IUPAC Name: (3S)-1-benzyl-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)piperazin-2-one Traditional Name: (3S)-1-benzyl-3-isobutyl-4-tosyl-piperazin-2-one Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2CC(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)[C@@H]2CC(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-17(2)15-21-22(25)23(16-19-7-5-4-6-8-19)13-14-24(21)28(26,27)20-11-9-18(3)10-12-20/h4-12,17,21H,13-16H2,1-3H3/t21-/m0/s1