ethyl (4S)-4-ethyl-2-oxidanylidene-6-[[(2R)-1-(phenylsulfonyl)piperidin-2-yl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[[(2R)-1-(phenylsulfonyl)piperidin-2-yl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[[(2R)-1-(benzenesulfonyl)-2-piperidinyl]-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(2R)-1-besylpipecoloyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)[C@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H29N3O7S/c1-3-16-19(21(27)31-4-2)17(24-22(28)23-16)14-32-20(26)18-12-8-9-13-25(18)33(29,30)15-10-6-5-7-11-15/h5-7,10-11,16,18H,3-4,8-9,12-14H2,1-2H3,(H2,23,24,28)/t16-,18+/m0/s1