methyl 4-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H24N4O5S2 MolecularWeight: 476.56906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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