(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H19ClFN3O5S MolecularWeight: 479.909063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)F

InChI

InChI=1S/C21H19ClFN3O5S/c22-14-5-6-15-17(11-14)24-19(25-20(15)27)12-31-21(28)13-4-7-16(23)18(10-13)32(29,30)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9,12H2,(H,24,25,27)