4-phenoxy-3-(1-pyridin-4-ylethylsulfanyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenoxy-3-(1-pyridin-4-ylethylsulfanyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-phenoxy-3-[1-(4-pyridyl)ethylsulfanyl]-5-sulfamoyl-benzoic acid CAS Name: 4-phenoxy-3-(1-pyridin-4-ylethylthio)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenoxy-3-(1-pyridin-4-ylethylsulfanyl)-5-sulfamoylbenzoic acid Traditional Name: 4-phenoxy-3-[1-(4-pyridyl)ethylthio]-5-sulfamoyl-benzoic acid Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)SC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=NC=C1)SC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O5S2/c1-13(14-7-9-22-10-8-14)28-17-11-15(20(23)24)12-18(29(21,25)26)19(17)27-16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24)(H2,21,25,26)