[(2R)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(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] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [(1R)-2-(2,4-dimethoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H26ClNO7S MolecularWeight: 495.97304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO7S/c1-15(22(26)18-9-7-16(30-2)13-21(18)31-3)32-23(27)19-14-17(8-10-20(19)24)33(28,29)25-11-5-4-6-12-25/h7-10,13-15H,4-6,11-12H2,1-3H3/t15-/m1/s1