[(1S)-2-oxidanylidenecyclohexyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C18H22ClNO5S MolecularWeight: 399.88898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO5S/c19-14-9-8-13(18(22)25-16-7-3-2-6-15(16)21)12-17(14)26(23,24)20-10-4-1-5-11-20/h8-9,12,16H,1-7,10-11H2/t16-/m0/s1