N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C18H22N3O6S2+ MolecularWeight: 440.51378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)OC

InChI

InChI=1S/C18H21N3O6S2/c1-26-16-9-8-15(12-17(16)27-2)28(22,23)20-13-5-3-6-14(11-13)29(24,25)21-18-7-4-10-19-18/h3,5-6,8-9,11-12,20H,4,7,10H2,1-2H3,(H,19,21)/p+1