3-[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(1-ethyl-5-sulfamoyl-2-benzimidazolyl)thio]methyl]benzoic acid IUPAC Name: 3-[(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)thio]methyl]benzoic acid Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H17N3O4S2/c1-2-20-15-7-6-13(26(18,23)24)9-14(15)19-17(20)25-10-11-4-3-5-12(8-11)16(21)22/h3-9H,2,10H2,1H3,(H,21,22)(H2,18,23,24)