methyl 2-[2-[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[1-butyl-5-(butylsulfamoyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H32N4O5S2 MolecularWeight: 532.67538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)CCCC

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)CCCC

InChI

InChI=1S/C25H32N4O5S2/c1-4-6-14-26-36(32,33)18-12-13-22-21(16-18)28-25(29(22)15-7-5-2)35-17-23(30)27-20-11-9-8-10-19(20)24(31)34-3/h8-13,16,26H,4-7,14-15,17H2,1-3H3,(H,27,30)