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

Systemtic Name: N-(2-ethanoylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-acetylphenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-acetylphenyl)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-acetylphenyl)-2-(4-besylpiperazin-1-ium-1-yl)acetamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S/c1-16(24)18-9-5-6-10-19(18)21-20(25)15-22-11-13-23(14-12-22)28(26,27)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,21,25)/p+1