(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-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-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O5S/c22-15-6-7-17-18(12-15)23-19(24-20(17)26)13-30-21(27)14-8-10-25(11-9-14)31(28,29)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,24,26)