[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: [4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-(phenylsulfonyl)propanoate Openeye Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester IUPAC Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester Formula: C19H15F3N2O5S MolecularWeight: 440.39301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O5S/c20-19(21,22)12-6-7-14-15(10-12)23-16(24-18(14)26)11-29-17(25)8-9-30(27,28)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,23,24,26)