methyl 1-[4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexanecarbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexanecarbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexanecarbonyl]isonipecotic acid methyl ester Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H29ClN2O5S/c1-29-21(26)17-10-12-24(13-11-17)20(25)16-4-2-15(3-5-16)14-23-30(27,28)19-8-6-18(22)7-9-19/h6-9,15-17,23H,2-5,10-14H2,1H3