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

Systemtic Name: ethyl 4-[2-[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[[1-(4-chlorophenyl)sulfonyl-2-benzimidazolyl]thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H25ClN4O5S2 MolecularWeight: 537.0514

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O5S2/c1-2-33-23(30)27-13-11-17(12-14-27)25-21(29)15-34-22-26-19-5-3-4-6-20(19)28(22)35(31,32)18-9-7-16(24)8-10-18/h3-10,17H,2,11-15H2,1H3,(H,25,29)