2-[(4-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(4-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[4-chloro-2-methyl-N-(p-tolylsulfonyl)anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(4-chloro-2-methyl-N-tosyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C22H28ClN4O3S+ MolecularWeight: 464.00072

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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=C(C=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O3S/c1-16-4-7-20(8-5-16)31(29,30)27(21-9-6-18(23)14-17(21)2)15-22(28)25-24-19-10-12-26(3)13-11-19/h4-9,14H,10-13,15H2,1-3H3,(H,25,28)/p+1