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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-(phenylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3,4-dimethoxy-anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(N-besyl-3,4-dimethoxy-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-25-13-11-17(12-14-25)23-24-22(27)16-26(32(28,29)19-7-5-4-6-8-19)18-9-10-20(30-2)21(15-18)31-3/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)/p+1