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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-dimethoxybenzamide Traditional Name: 3,4-dimethoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C19H22N3O5S+ MolecularWeight: 404.46008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-26-16-9-8-13(11-17(16)27-2)19(23)21-14-5-3-6-15(12-14)28(24,25)22-18-7-4-10-20-18/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,22)(H,21,23)/p+1