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

Systemtic Name: [4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-[(4-methoxyphenyl)sulfonylamino]propanoate Openeye Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxyphenyl)sulfonylamino]propanoic acid [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester IUPAC Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxyphenyl)sulfonylamino]propionic acid [4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester Formula: C20H18F3N3O6S MolecularWeight: 485.43363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O6S/c1-31-13-3-5-14(6-4-13)33(29,30)24-9-8-18(27)32-11-17-25-16-10-12(20(21,22)23)2-7-15(16)19(28)26-17/h2-7,10,24H,8-9,11H2,1H3,(H,25,26,28)