2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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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=C(C=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-16-4-3-5-19(14-16)22-21(26)15-23-10-12-24(13-11-23)29(27,28)20-8-6-18(7-9-20)17(2)25/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)/p+1