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

Systemtic Name: 5-[[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]methyl]-2-methoxy-benzoate Openeye Name: 5-[[[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]methyl]-2-methoxybenzoate IUPAC Name: 5-[[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]amino]methyl]-2-methoxy-benzoate Formula: C22H25N4O6S2- MolecularWeight: 505.5871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NCC3=CC(=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NCC3=CC(=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C22H26N4O6S2/c1-3-4-9-26-18-7-6-15(34(23,30)31)11-17(18)25-22(26)33-13-20(27)24-12-14-5-8-19(32-2)16(10-14)21(28)29/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,24,27)(H,28,29)(H2,23,30,31)/p-1