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

Systemtic Name: [(2R)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(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] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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