2-chloranyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoic acid Openeye Name: 2-chloro-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoic acid CAS Name: 2-chloro-5-methylsulfonyl-4-(2-pyrimidinylamino)benzoic acid IUPAC Name: 2-chloro-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoic acid Traditional Name: 2-chloro-5-mesyl-4-(2-pyrimidylamino)benzoic acid Formula: C12H10ClN3O4S MolecularWeight: 327.7435

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)NC2=NC=CC=N2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)NC2=NC=CC=N2

InChI

InChI=1S/C12H10ClN3O4S/c1-21(19,20)10-5-7(11(17)18)8(13)6-9(10)16-12-14-3-2-4-15-12/h2-6H,1H3,(H,17,18)(H,14,15,16)