2-[(2,5-dimethoxyphenyl)-(phenylsulfonyl)amino]-N-pyridin-1-ium-3-yl-ethanamide

Systemtic Name: 2-[(2,5-dimethoxyphenyl)-(phenylsulfonyl)amino]-N-pyridin-1-ium-3-yl-ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-2,5-dimethoxy-anilino]-N-pyridin-1-ium-3-yl-acetamide CAS Name: 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-pyridin-1-iumyl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-pyridin-1-ium-3-ylacetamide Traditional Name: 2-(N-besyl-2,5-dimethoxy-anilino)-N-pyridin-1-ium-3-yl-acetamide Formula: C21H22N3O5S+ MolecularWeight: 428.48148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=C[NH+]=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=C[NH+]=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5S/c1-28-17-10-11-20(29-2)19(13-17)24(30(26,27)18-8-4-3-5-9-18)15-21(25)23-16-7-6-12-22-14-16/h3-14H,15H2,1-2H3,(H,23,25)/p+1