[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-besylpipecolinic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)COC(=O)[C@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H24N4O7S/c1-29-17-12-18(30-2)23-20(22-17)21-16(25)13-31-19(26)15-10-6-7-11-24(15)32(27,28)14-8-4-3-5-9-14/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,21,22,23,25)/t15-/m1/s1