[(2S)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [(1S)-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=CC(=C(C=C2)Cl)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)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H26ClNO7S/c1-15(22(26)18-9-8-17(30-2)14-20(18)31-3)32-23(27)16-7-10-19(24)21(13-16)33(28,29)25-11-5-4-6-12-25/h7-10,13-15H,4-6,11-12H2,1-3H3/t15-/m0/s1