(4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylisonipecotic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O6S/c1-12-18(13(2)30-23-12)31(27,28)24-9-7-14(8-10-24)20(26)29-11-17-21-16-6-4-3-5-15(16)19(25)22-17/h3-6,14H,7-11H2,1-2H3,(H,21,22,25)