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

Systemtic Name: 2-[(4-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methyl-anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(N-besyl-4-chloro-2-methyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C21H26ClN4O3S+ MolecularWeight: 449.97414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3S/c1-16-14-17(22)8-9-20(16)26(30(28,29)19-6-4-3-5-7-19)15-21(27)24-23-18-10-12-25(2)13-11-18/h3-9,14H,10-13,15H2,1-2H3,(H,24,27)/p+1