methyl 1-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-cyanophenyl)sulfonylisonipecotoyl]isonipecotic acid methyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H25N3O5S/c1-28-20(25)17-6-10-22(11-7-17)19(24)16-8-12-23(13-9-16)29(26,27)18-4-2-15(14-21)3-5-18/h2-5,16-17H,6-13H2,1H3