[(2R)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [(1R)-2-(2,4-dimethoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=C(C=C1)OC)OC)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)C1=C(C=C(C=C1)OC)OC)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27NO7S/c1-16(22(25)20-11-10-18(29-2)15-21(20)30-3)31-23(26)17-8-7-9-19(14-17)32(27,28)24-12-5-4-6-13-24/h7-11,14-16H,4-6,12-13H2,1-3H3/t16-/m1/s1