N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C21H22N5O4S+ MolecularWeight: 440.49548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H21N5O4S/c27-20(11-10-19-24-17-8-2-1-7-16(17)21(28)25-19)23-14-5-3-6-15(13-14)31(29,30)26-18-9-4-12-22-18/h1-3,5-8,13H,4,9-12H2,(H,22,26)(H,23,27)(H,24,25,28)/p+1