2-[(2,5-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(2,5-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[2,5-dimethoxy-N-(p-tolylsulfonyl)anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(2,5-dimethoxy-N-tosyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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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=C(C=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O5S/c1-17-5-8-20(9-6-17)33(29,30)27(21-15-19(31-3)7-10-22(21)32-4)16-23(28)25-24-18-11-13-26(2)14-12-18/h5-10,15H,11-14,16H2,1-4H3,(H,25,28)/p+1