N-(3-methylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(m-tolyl)acetamide Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c1-16-6-5-7-17(14-16)20-19(23)15-21-10-12-22(13-11-21)26(24,25)18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3,(H,20,23)/p+1