1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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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)C4=CN=CC=C4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H22N4O5S/c1-14(19-23-18-7-3-2-6-17(18)20(26)24-19)30-21(27)15-8-11-25(12-9-15)31(28,29)16-5-4-10-22-13-16/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,23,24,26)