5-[(5-chloranylpyridin-2-yl)sulfamoyl]-3-ethynyl-2-oxidanyl-4-phenyl-benzoic acid

Systemtic Name: 5-[(5-chloranylpyridin-2-yl)sulfamoyl]-3-ethynyl-2-oxidanyl-4-phenyl-benzoic acid Openeye Name: 5-[(5-chloro-2-pyridyl)sulfamoyl]-3-ethynyl-2-hydroxy-4-phenyl-benzoic acid CAS Name: 5-[(5-chloro-2-pyridinyl)sulfamoyl]-3-ethynyl-2-hydroxy-4-phenylbenzoic acid IUPAC Name: 5-[(5-chloropyridin-2-yl)sulfamoyl]-3-ethynyl-2-hydroxy-4-phenylbenzoic acid Traditional Name: 5-[(5-chloro-2-pyridyl)sulfamoyl]-3-ethynyl-2-hydroxy-4-phenyl-benzoic acid Formula: C20H13ClN2O5S MolecularWeight: 428.84562

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC(=C1C2=CC=CC=C2)S(=O)(=O)NC3=NC=C(C=C3)Cl)C(=O)O)O

Isomeric SMILES

C#CC1=C(C(=CC(=C1C2=CC=CC=C2)S(=O)(=O)NC3=NC=C(C=C3)Cl)C(=O)O)O

InChI

InChI=1S/C20H13ClN2O5S/c1-2-14-18(12-6-4-3-5-7-12)16(10-15(19(14)24)20(25)26)29(27,28)23-17-9-8-13(21)11-22-17/h1,3-11,24H,(H,22,23)(H,25,26)