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

Systemtic Name: 2-[(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)carbonylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(5-chloro-2-methylsulfonyl-pyrimidine-4-carbonyl)amino]-5-iodo-benzoic acid CAS Name: 2-[[(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(5-chloro-2-methylsulfonylpyrimidine-4-carbonyl)amino]-5-iodobenzoic acid Traditional Name: 2-[(5-chloro-2-mesyl-pyrimidine-4-carbonyl)amino]-5-iodo-benzoic acid Formula: C13H9ClIN3O5S MolecularWeight: 481.65013

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C=C(C=C2)I)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C=C(C=C2)I)C(=O)O)Cl

InChI

InChI=1S/C13H9ClIN3O5S/c1-24(22,23)13-16-5-8(14)10(18-13)11(19)17-9-3-2-6(15)4-7(9)12(20)21/h2-5H,1H3,(H,17,19)(H,20,21)