N-(2-methylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(o-tolyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(o-tolyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

InChI

InChI=1S/C23H31N3O3S/c1-16-8-6-7-9-21(16)24-22(27)15-25-10-12-26(13-11-25)30(28,29)23-19(4)17(2)14-18(3)20(23)5/h6-9,14H,10-13,15H2,1-5H3,(H,24,27)/p+1