[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C17H22ClNO5S MolecularWeight: 387.87828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C17H22ClNO5S/c1-11-5-4-6-12(2)19(11)16(20)10-24-17(21)14-9-13(25(3,22)23)7-8-15(14)18/h7-9,11-12H,4-6,10H2,1-3H3