(2S)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide Openeye Name: (2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(o-tolyl)propanamide CAS Name: (2S)-2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide Traditional Name: (2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(o-tolyl)propionamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-16-6-4-5-7-21(16)23-22(27)17(2)24-12-14-25(15-13-24)30(28,29)20-10-8-19(9-11-20)18(3)26/h4-11,17H,12-15H2,1-3H3,(H,23,27)/p+1/t17-/m0/s1