methyl 2-methoxy-5-[[2-[(4-methylphenyl)sulfonylamino]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[2-[(4-methylphenyl)sulfonylamino]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]methyl]benzoate Openeye Name: methyl 5-[[4-hydroxy-6-oxo-2-(p-tolylsulfonylamino)-1H-pyrimidin-5-yl]methyl]-2-methoxy-benzoate CAS Name: 5-[[4-hydroxy-2-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-5-yl]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[4-hydroxy-2-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-5-yl]methyl]-2-methoxybenzoate Traditional Name: 5-[[4-hydroxy-6-keto-2-(tosylamino)-1H-pyrimidin-5-yl]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(C(=O)N2)CC3=CC(=C(C=C3)OC)C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(C(=O)N2)CC3=CC(=C(C=C3)OC)C(=O)OC)O

InChI

InChI=1S/C21H21N3O7S/c1-12-4-7-14(8-5-12)32(28,29)24-21-22-18(25)16(19(26)23-21)11-13-6-9-17(30-2)15(10-13)20(27)31-3/h4-10H,11H2,1-3H3,(H3,22,23,24,25,26)