N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(6-fluoro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(6-fluoro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-(6-fluoro-4-keto-quinazolin-3-yl)acetamide Formula: C20H18ClFN4O4S MolecularWeight: 464.897723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F)Cl

InChI

InChI=1S/C20H18ClFN4O4S/c21-16-5-4-14(10-18(16)31(29,30)26-7-1-2-8-26)24-19(27)11-25-12-23-17-6-3-13(22)9-15(17)20(25)28/h3-6,9-10,12H,1-2,7-8,11H2,(H,24,27)