(4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H14N2O5S/c1-25(22,23)12-8-6-11(7-9-12)17(21)24-10-15-18-14-5-3-2-4-13(14)16(20)19-15/h2-9H,10H2,1H3,(H,18,19,20)