2-(phenylcarbonyloxy)ethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-benzoyloxyethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid 2-benzoyloxyethyl ester Formula: C21H21F2NO6S MolecularWeight: 453.456346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H21F2NO6S/c22-18-7-6-17(14-19(18)23)31(27,28)24-10-8-16(9-11-24)21(26)30-13-12-29-20(25)15-4-2-1-3-5-15/h1-7,14,16H,8-13H2