1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C22H22FN3O5S MolecularWeight: 459.490583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22FN3O5S/c1-14(20-24-18-8-4-3-7-16(18)21(27)25-20)31-22(28)15-9-10-17(23)19(13-15)32(29,30)26-11-5-2-6-12-26/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,24,25,27)