[(1S)-2-oxidanylidenecyclohexyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3CCCCC3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C20H27NO5S/c22-18-6-2-3-7-19(18)26-20(23)13-10-16-8-11-17(12-9-16)27(24,25)21-14-4-1-5-15-21/h8-9,11-12,19H,1-7,10,13-15H2/t19-/m0/s1