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

Systemtic Name: 2-[(4-methylphenyl)-(phenylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-methyl-anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(N-besyl-4-methyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-17-8-10-19(11-9-17)25(29(27,28)20-6-4-3-5-7-20)16-21(26)23-22-18-12-14-24(2)15-13-18/h3-11H,12-16H2,1-2H3,(H,23,26)/p+1