4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-(4-isothiocyanatophenoxy)-3-(1-pyrrolyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoyl-benzoic acid Formula: C18H13N3O5S2 MolecularWeight: 415.44292

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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)N=C=S

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O5S2/c19-28(24,25)16-10-12(18(22)23)9-15(21-7-1-2-8-21)17(16)26-14-5-3-13(4-6-14)20-11-27/h1-10H,(H,22,23)(H2,19,24,25)