4-[4-(2-hydroxyethylcarbamothioylamino)phenoxy]-3-pyrrol-1-yl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[4-(2-hydroxyethylcarbamothioylamino)phenoxy]-3-pyrrol-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-[4-(2-hydroxyethylcarbamothioylamino)phenoxy]-3-pyrrol-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-[4-[[(2-hydroxyethylamino)-sulfanylidenemethyl]amino]phenoxy]-3-(1-pyrrolyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-[4-(2-hydroxyethylcarbamothioylamino)phenoxy]-3-pyrrol-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-[4-(2-hydroxyethylthiocarbamoylamino)phenoxy]-3-pyrrol-1-yl-5-sulfamoyl-benzoic acid Formula: C20H20N4O6S2 MolecularWeight: 476.526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O6S2/c21-32(28,29)17-12-13(19(26)27)11-16(24-8-1-2-9-24)18(17)30-15-5-3-14(4-6-15)23-20(31)22-7-10-25/h1-6,8-9,11-12,25H,7,10H2,(H,26,27)(H2,21,28,29)(H2,22,23,31)