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

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide Openeye Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide Traditional Name: N-[4-(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=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

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

InChI

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