methyl 5-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H21N3O5S2/c1-3-4-9-21-15-7-6-13(28(19,23)24)10-14(15)20-18(21)27-11-12-5-8-16(26-12)17(22)25-2/h5-8,10H,3-4,9,11H2,1-2H3,(H2,19,23,24)