[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H32N2O5S/c1-5-6-17(4)22-20(24)14-28-21(25)18-9-11-23(12-10-18)29(26,27)19-8-7-15(2)16(3)13-19/h7-8,13,17-18H,5-6,9-12,14H2,1-4H3,(H,22,24)