[2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2,5-dichlorophenyl)-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-(2,5-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichlorophenyl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-(2,5-dichlorophenyl)-2-keto-ethyl] ester Formula: C20H19Cl2NO5S MolecularWeight: 456.33956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H19Cl2NO5S/c21-15-6-9-18(22)17(12-15)19(24)13-28-20(25)14-4-7-16(8-5-14)29(26,27)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2