ethyl 3,5-dimethyl-4-[2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(NC(=C3C)C(=O)OCC)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(NC(=C3C)C(=O)OCC)C

InChI

InChI=1S/C21H26N4O5S2/c1-5-9-25-16-8-7-14(32(22,28)29)10-15(16)24-21(25)31-11-17(26)18-12(3)19(23-13(18)4)20(27)30-6-2/h7-8,10,23H,5-6,9,11H2,1-4H3,(H2,22,28,29)