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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide Formula: C19H18N5O3S+ MolecularWeight: 396.44292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C19H17N5O3S/c25-19(17-12-21-15-7-1-2-8-16(15)23-17)22-13-5-3-6-14(11-13)28(26,27)24-18-9-4-10-20-18/h1-3,5-8,11-12H,4,9-10H2,(H,20,24)(H,22,25)/p+1