2-[2-[[aminocarbonyl-(2-carboxyphenyl)sulfonyl-carbamoyl]amino]-6-chloranyl-pyrimidin-4-yl]benzoic acid

Systemtic Name: 2-[2-[[aminocarbonyl-(2-carboxyphenyl)sulfonyl-carbamoyl]amino]-6-chloranyl-pyrimidin-4-yl]benzoic acid Openeye Name: 2-[2-[[carbamoyl-(2-carboxyphenyl)sulfonyl-carbamoyl]amino]-6-chloro-pyrimidin-4-yl]benzoic acid CAS Name: 2-[2-[[[carbamoyl-(2-carboxyphenyl)sulfonylamino]-oxomethyl]amino]-6-chloro-4-pyrimidinyl]benzoic acid IUPAC Name: 2-[2-[[carbamoyl-(2-carboxyphenyl)sulfonylcarbamoyl]amino]-6-chloropyrimidin-4-yl]benzoic acid Traditional Name: 2-[2-[[carbamoyl-(2-carboxyphenyl)sulfonyl-carbamoyl]amino]-6-chloro-pyrimidin-4-yl]benzoic acid Formula: C20H14ClN5O8S MolecularWeight: 519.87186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=NC(=N2)NC(=O)N(C(=O)N)S(=O)(=O)C3=CC=CC=C3C(=O)O)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=NC(=N2)NC(=O)N(C(=O)N)S(=O)(=O)C3=CC=CC=C3C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C20H14ClN5O8S/c21-15-9-13(10-5-1-2-6-11(10)16(27)28)23-19(24-15)25-20(32)26(18(22)31)35(33,34)14-8-4-3-7-12(14)17(29)30/h1-9H,(H2,22,31)(H,27,28)(H,29,30)(H,23,24,25,32)