[2-(butylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H25FN2O5S/c1-2-3-10-20-17(22)13-26-18(23)14-8-11-21(12-9-14)27(24,25)16-6-4-15(19)5-7-16/h4-7,14H,2-3,8-13H2,1H3,(H,20,22)