2-[(2-methoxy-5-methyl-phenyl)-(phenylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)-(phenylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-2-methoxy-5-methyl-anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(N-besyl-2-methoxy-5-methyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-17-9-10-21(30-3)20(15-17)26(31(28,29)19-7-5-4-6-8-19)16-22(27)24-23-18-11-13-25(2)14-12-18/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)/p+1