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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-2-3-10-21-18(23)14-27-19(24)16-8-11-22(12-9-16)28(25,26)17-6-4-15(13-20)5-7-17/h4-7,16H,2-3,8-12,14H2,1H3,(H,21,23)