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

Systemtic Name: N-(3-ethanoylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-(4-besylpiperazin-1-ium-1-yl)acetamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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