[(1S)-2-oxidanylidenecyclohexyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2CCCCC2=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O[C@H]2CCCCC2=O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H23NO6S/c1-24-16-9-8-13(18(21)25-15-7-3-2-6-14(15)20)12-17(16)26(22,23)19-10-4-5-11-19/h8-9,12,15H,2-7,10-11H2,1H3/t15-/m0/s1