[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 2-(p-tolylsulfonylamino)pyrimidine-5-carboxylate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-5-pyrimidinecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxylate Traditional Name: 2-(tosylamino)pyrimidine-5-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H19N3O7S/c1-14-2-5-17(6-3-14)33(28,29)25-22-23-11-16(12-24-22)21(27)32-13-18(26)15-4-7-19-20(10-15)31-9-8-30-19/h2-7,10-12H,8-9,13H2,1H3,(H,23,24,25)