[2-(butylamino)-2-oxidanylidene-ethyl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O6S/c1-3-4-10-21-19(24)14-28-20(25)16-8-11-22(12-9-16)29(26,27)18-7-5-6-17(13-18)15(2)23/h5-7,13,16H,3-4,8-12,14H2,1-2H3,(H,21,24)