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

Systemtic Name: butyl 4-[2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-ethyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C22H26N4O5S2/c1-3-5-12-31-21(28)15-6-8-16(9-7-15)24-20(27)14-32-22-25-18-13-17(33(23,29)30)10-11-19(18)26(22)4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H,24,27)(H2,23,29,30)