[2-[(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: [2-[(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: [2-[4-methyl-2-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid [2-[4-methyl-2-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-6-carboxylic acid [2-keto-2-(4-methyl-2-piperidinosulfonyl-anilino)ethyl] ester Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=O)NC(=O)N2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=O)NC(=O)N2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N4O7S/c1-12-5-6-13(15(9-12)31(28,29)23-7-3-2-4-8-23)20-17(25)11-30-18(26)14-10-16(24)22-19(27)21-14/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,20,25)(H2,21,22,24,27)