ethyl 4-[2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[1-(p-tolylsulfonyl)benzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[[1-(4-methylphenyl)sulfonyl-2-benzimidazolyl]thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(1-tosylbenzimidazol-2-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H28N4O5S2 MolecularWeight: 516.63292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N4O5S2/c1-3-33-24(30)27-14-12-18(13-15-27)25-22(29)16-34-23-26-20-6-4-5-7-21(20)28(23)35(31,32)19-10-8-17(2)9-11-19/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)