4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid Openeye Name: 4-[(5-chloro-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 4-[(5-chloro-6-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 4-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 4-[(5-chloro-2-mesyl-6-methyl-pyrimidin-4-yl)amino]besylic acid Formula: C12H12ClN3O5S2 MolecularWeight: 377.82378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC=C(C=C2)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC=C(C=C2)S(=O)(=O)O)Cl

InChI

InChI=1S/C12H12ClN3O5S2/c1-7-10(13)11(16-12(14-7)22(2,17)18)15-8-3-5-9(6-4-8)23(19,20)21/h3-6H,1-2H3,(H,14,15,16)(H,19,20,21)