(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H17ClFN3O6S MolecularWeight: 481.881883

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C20H17ClFN3O6S/c21-12-1-3-14-17(9-12)23-18(24-19(14)26)11-31-20(27)15-10-13(2-4-16(15)22)32(28,29)25-5-7-30-8-6-25/h1-4,9-10H,5-8,11H2,(H,23,24,26)