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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2CCCCC2=O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H]2CCCCC2=O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H25NO5S/c1-14-9-10-15(19(22)25-17-8-4-3-7-16(17)21)13-18(14)26(23,24)20-11-5-2-6-12-20/h9-10,13,17H,2-8,11-12H2,1H3/t17-/m0/s1