4-[2-[5-(diethylsulfamoyl)-1-(2-methoxyphenyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[5-(diethylsulfamoyl)-1-(2-methoxyphenyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[5-(diethylsulfamoyl)-1-(2-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[5-(diethylsulfamoyl)-1-(2-methoxyphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[5-(diethylsulfamoyl)-1-(2-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[5-(diethylsulfamoyl)-1-(2-methoxyphenyl)benzimidazol-2-yl]thio]acetyl]amino]benzoic acid Formula: C27H28N4O6S2 MolecularWeight: 568.66442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4OC

InChI

InChI=1S/C27H28N4O6S2/c1-4-30(5-2)39(35,36)20-14-15-22-21(16-20)29-27(31(22)23-8-6-7-9-24(23)37-3)38-17-25(32)28-19-12-10-18(11-13-19)26(33)34/h6-16H,4-5,17H2,1-3H3,(H,28,32)(H,33,34)