(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methylbenzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(diethylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methyl-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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