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

Systemtic Name: methyl 2-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H24N4O5S2/c1-3-4-11-25-18-10-9-14(32(22,28)29)12-17(18)24-21(25)31-13-19(26)23-16-8-6-5-7-15(16)20(27)30-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)(H2,22,28,29)