5-[[6-[(4-ethylphenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[[6-[(4-ethylphenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[6-[(4-ethylphenyl)methylsulfanyl]-3-pyridyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[6-[(4-ethylphenyl)methylthio]-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[6-[(4-ethylphenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[6-[(4-ethylbenzyl)thio]-3-pyridyl]sulfamoyl]-2-methyl-benzoic acid Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC2=NC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CSC2=NC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O

InChI

InChI=1S/C22H22N2O4S2/c1-3-16-5-7-17(8-6-16)14-29-21-11-9-18(13-23-21)24-30(27,28)19-10-4-15(2)20(12-19)22(25)26/h4-13,24H,3,14H2,1-2H3,(H,25,26)