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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methyl-4-oxo-quinazolin-2-yl)propanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methyl-4-oxo-2-quinazolinyl)propanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C22H24N5O4S+ MolecularWeight: 454.52206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C22H23N5O4S/c1-27-20(25-18-9-3-2-8-17(18)22(27)29)11-12-21(28)24-15-6-4-7-16(14-15)32(30,31)26-19-10-5-13-23-19/h2-4,6-9,14H,5,10-13H2,1H3,(H,23,26)(H,24,28)/p+1