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

Systemtic Name: 4-bromanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethoxy-benzamide Openeye Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethoxy-benzamide CAS Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide IUPAC Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C19H21BrN3O5S+ MolecularWeight: 483.35614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C19H20BrN3O5S/c1-27-15-9-12(10-16(28-2)18(15)20)19(24)22-13-5-3-6-14(11-13)29(25,26)23-17-7-4-8-21-17/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,21,23)(H,22,24)/p+1