4-phenyl-3-(pyridin-2-ylmethylsulfanyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenyl-3-(pyridin-2-ylmethylsulfanyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-phenyl-3-(2-pyridylmethylsulfanyl)-5-sulfamoyl-benzoic acid CAS Name: 4-phenyl-3-(2-pyridinylmethylthio)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenyl-3-(pyridin-2-ylmethylsulfanyl)-5-sulfamoylbenzoic acid Traditional Name: 4-phenyl-3-(2-pyridylmethylthio)-5-sulfamoyl-benzoic acid Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)SCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)SCC3=CC=CC=N3

InChI

InChI=1S/C19H16N2O4S2/c20-27(24,25)17-11-14(19(22)23)10-16(18(17)13-6-2-1-3-7-13)26-12-15-8-4-5-9-21-15/h1-11H,12H2,(H,22,23)(H2,20,24,25)