(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-chloranyl-5-(diethylsulfamoyl)benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-chloranyl-5-(diethylsulfamoyl)benzoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=NC(=O)C3=C(N2)C(=CC=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=NC(=O)C3=C(N2)C(=CC=C3)C

InChI

InChI=1S/C21H22ClN3O5S/c1-4-25(5-2)31(28,29)14-9-10-17(22)16(11-14)21(27)30-12-18-23-19-13(3)7-6-8-15(19)20(26)24-18/h6-11H,4-5,12H2,1-3H3,(H,23,24,26)