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

Systemtic Name: ethyl 2-oxidanylidene-6-[[1-(phenylsulfonyl)piperidin-4-yl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[1-(benzenesulfonyl)piperidine-4-carbonyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[1-(benzenesulfonyl)piperidine-4-carbonyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1-besylisonipecotoyl)oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N3O7S MolecularWeight: 451.4934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O7S/c1-2-29-19(25)16-12-21-20(26)22-17(16)13-30-18(24)14-8-10-23(11-9-14)31(27,28)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H2,21,22,26)