4-methyl-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]benzoic acid Formula: C20H18N2O4S2 MolecularWeight: 414.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C20H18N2O4S2/c1-14-4-5-16(20(23)24)11-19(14)28(25,26)22-17-6-8-18(9-7-17)27-13-15-3-2-10-21-12-15/h2-12,22H,13H2,1H3,(H,23,24)