2-[(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)carbonylamino]benzoic acid Openeye Name: 2-[(5-chloro-2-methylsulfonyl-pyrimidine-4-carbonyl)amino]benzoic acid CAS Name: 2-[[(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(5-chloro-2-methylsulfonylpyrimidine-4-carbonyl)amino]benzoic acid Traditional Name: 2-[(5-chloro-2-mesyl-pyrimidine-4-carbonyl)amino]benzoic acid Formula: C13H10ClN3O5S MolecularWeight: 355.7536

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C13H10ClN3O5S/c1-23(21,22)13-15-6-8(14)10(17-13)11(18)16-9-5-3-2-4-7(9)12(19)20/h2-6H,1H3,(H,16,18)(H,19,20)