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

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-2-3-4-11-22-19(24)15-28-20(25)17-9-12-23(13-10-17)29(26,27)18-7-5-16(14-21)6-8-18/h5-8,17H,2-4,9-13,15H2,1H3,(H,22,24)