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

Systemtic Name: 2-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[4-methyl-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(4-methyl-N-tosyl-anilino)acetamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-17-4-8-20(9-5-17)26(30(28,29)21-10-6-18(2)7-11-21)16-22(27)24-23-19-12-14-25(3)15-13-19/h4-11H,12-16H2,1-3H3,(H,24,27)/p+1