2-[(2,3-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(2,3-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[2,3-dimethyl-N-(p-tolylsulfonyl)anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(2,3-dimethyl-N-tosyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C2CC[NH+](CC2)C)C3=CC=CC(=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C2CC[NH+](CC2)C)C3=CC=CC(=C3C)C

InChI

InChI=1S/C23H30N4O3S/c1-17-8-10-21(11-9-17)31(29,30)27(22-7-5-6-18(2)19(22)3)16-23(28)25-24-20-12-14-26(4)15-13-20/h5-11H,12-16H2,1-4H3,(H,25,28)/p+1