[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C18H22N4O6S/c1-29(26,27)21-8-6-12(7-9-21)18(25)28-11-16-20-14-5-3-2-4-13(14)17(24)22(16)10-15(19)23/h2-5,12H,6-11H2,1H3,(H2,19,23)