4-[4-[2-(2-hydroxyethyloxy)ethylcarbamothioylamino]phenoxy]-3-(2H-pyrrol-1-ium-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[4-[2-(2-hydroxyethyloxy)ethylcarbamothioylamino]phenoxy]-3-(2H-pyrrol-1-ium-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-[4-[2-(2-hydroxyethoxy)ethylcarbamothioylamino]phenoxy]-3-(2H-pyrrol-1-ium-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-[4-[[[2-(2-hydroxyethoxy)ethylamino]-sulfanylidenemethyl]amino]phenoxy]-3-(2H-pyrrol-1-ium-1-yl)-5-sulfamoylbenzoic acid IUPAC Name: 4-[4-[2-(2-hydroxyethoxy)ethylcarbamothioylamino]phenoxy]-3-(2H-pyrrol-1-ium-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-[4-[2-(2-hydroxyethoxy)ethylthiocarbamoylamino]phenoxy]-3-(2H-pyrrol-1-ium-1-yl)-5-sulfamoyl-benzoic acid Formula: C22H25N4O7S2+ MolecularWeight: 521.5865

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[N+]1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)NC(=S)NCCOCCO

Isomeric SMILES

C1C=CC=[N+]1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)NC(=S)NCCOCCO

InChI

InChI=1S/C22H24N4O7S2/c23-35(30,31)19-14-15(21(28)29)13-18(26-8-1-2-9-26)20(19)33-17-5-3-16(4-6-17)25-22(34)24-7-11-32-12-10-27/h1-6,8,13-14,27H,7,9-12H2,(H4-,23,24,25,28,29,30,31,34)/p+1