(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H19ClFN3O5S MolecularWeight: 479.909063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19ClFN3O5S/c22-14-1-6-17-18(11-14)24-19(25-20(17)27)12-31-21(28)13-7-9-26(10-8-13)32(29,30)16-4-2-15(23)3-5-16/h1-6,11,13H,7-10,12H2,(H,24,25,27)