methyl 4-[[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-butyl-5-(butylsulfamoyl)-2-benzimidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)CCCC

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)CCCC

InChI

InChI=1S/C24H31N3O4S2/c1-4-6-14-25-33(29,30)20-12-13-22-21(16-20)26-24(27(22)15-7-5-2)32-17-18-8-10-19(11-9-18)23(28)31-3/h8-13,16,25H,4-7,14-15,17H2,1-3H3