ethyl 1-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C21H30N4O5S2 MolecularWeight: 482.6167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H30N4O5S2/c1-3-5-10-25-18-7-6-16(32(22,28)29)13-17(18)23-21(25)31-14-19(26)24-11-8-15(9-12-24)20(27)30-4-2/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H2,22,28,29)