ethyl 4-[2-[1-(phenylsulfonyl)benzimidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(phenylsulfonyl)benzimidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[[1-(benzenesulfonyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(1-besylbenzimidazol-2-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H26N4O5S2 MolecularWeight: 502.60634

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5S2/c1-2-32-23(29)26-14-12-17(13-15-26)24-21(28)16-33-22-25-19-10-6-7-11-20(19)27(22)34(30,31)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,24,28)