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

Systemtic Name: 2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-(o-tolyl)acetamide CAS Name: 2-[4-(3-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethyl-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-(o-tolyl)acetamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCN(C1=CC=CC=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C23H29N3O4S/c1-4-26(22-11-6-5-8-18(22)2)23(28)17-24-12-14-25(15-13-24)31(29,30)21-10-7-9-20(16-21)19(3)27/h5-11,16H,4,12-15,17H2,1-3H3/p+1