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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H25N3O5S/c21-13-15-5-7-18(8-6-15)29(26,27)23-11-9-16(10-12-23)20(25)28-14-19(24)22-17-3-1-2-4-17/h5-8,16-17H,1-4,9-12,14H2,(H,22,24)