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

Systemtic Name: ethyl 4-[2-(1-methylsulfonylbenzimidazol-2-yl)sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(1-methylsulfonylbenzimidazol-2-yl)sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(1-methylsulfonyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-methylsulfonylbenzimidazol-2-yl)sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(1-mesylbenzimidazol-2-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H24N4O5S2 MolecularWeight: 440.53696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S2/c1-3-27-18(24)21-10-8-13(9-11-21)19-16(23)12-28-17-20-14-6-4-5-7-15(14)22(17)29(2,25)26/h4-7,13H,3,8-12H2,1-2H3,(H,19,23)