(2S)-2-(4-methylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(4-methylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-2-(p-tolyl)acetate CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-2-(4-methylphenyl)acetate IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-2-(4-methylphenyl)acetate Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-2-(p-tolyl)acetate Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+]2CCN(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)/t18-/m0/s1