2-[(3-chloranyl-4-methoxy-phenyl)-(phenylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-(phenylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxy-anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(N-besyl-3-chloro-4-methoxy-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C21H26ClN4O4S+ MolecularWeight: 465.97354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=CC=C3)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=CC=C3)CC1

InChI

InChI=1S/C21H25ClN4O4S/c1-25-12-10-16(11-13-25)23-24-21(27)15-26(17-8-9-20(30-2)19(22)14-17)31(28,29)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,24,27)/p+1