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

Systemtic Name: 2-[(2,3-dimethylphenyl)-(phenylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-2,3-dimethyl-anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(N-besyl-2,3-dimethyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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