[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C23H26ClNO8S MolecularWeight: 511.97244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H26ClNO8S/c1-30-19-11-16(12-20(31-2)22(19)32-3)18(26)14-33-23(27)15-7-8-17(24)21(13-15)34(28,29)25-9-5-4-6-10-25/h7-8,11-13H,4-6,9-10,14H2,1-3H3