[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C24H29NO5S2 MolecularWeight: 475.62076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H29NO5S2/c26-22(20-10-8-19(9-11-20)18-5-2-1-3-6-18)17-30-24(27)21-12-14-25(15-13-21)32(28,29)23-7-4-16-31-23/h4,7-11,16,18,21H,1-3,5-6,12-15,17H2