1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O5S/c1-11(15-18-14-6-4-3-5-13(14)16(21)19-15)25-17(22)12-7-9-20(10-8-12)26(2,23)24/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,21)