2-(4-methylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(4-methylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-(p-tolyl)acetic acid CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-methylphenyl)acetic acid IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-methylphenyl)acetic acid Traditional Name: 2-(4-besylpiperazino)-2-(p-tolyl)acetic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-15-7-9-16(10-8-15)18(19(22)23)20-11-13-21(14-12-20)26(24,25)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3,(H,22,23)