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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(dimethylsulfamoyl)benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(dimethylsulfamoyl)benzoate CAS Name: 3-(dimethylsulfamoyl)benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(dimethylsulfamoyl)benzoate Traditional Name: 3-(dimethylsulfamoyl)benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O5S/c1-22(2)28(25,26)13-5-3-4-11(8-13)18(24)27-10-16-20-15-9-12(19)6-7-14(15)17(23)21-16/h3-9H,10H2,1-2H3,(H,20,21,23)