methyl 4-[(1-butyl-6-sulfamoyl-benzimidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(1-butyl-6-sulfamoyl-benzimidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-butyl-6-sulfamoyl-benzimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-butyl-6-sulfamoyl-2-benzimidazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-butyl-6-sulfamoylbenzimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-butyl-6-sulfamoyl-benzimidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)S(=O)(=O)N)N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)S(=O)(=O)N)N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H23N3O4S2/c1-3-4-11-23-18-12-16(29(21,25)26)9-10-17(18)22-20(23)28-13-14-5-7-15(8-6-14)19(24)27-2/h5-10,12H,3-4,11,13H2,1-2H3,(H2,21,25,26)