tert-butyl 2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetic acid tert-butyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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)OC(C)(C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C17H25N3O4S2/c1-5-6-9-20-14-8-7-12(26(18,22)23)10-13(14)19-16(20)25-11-15(21)24-17(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H2,18,22,23)