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

Systemtic Name: phenyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: phenyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid phenyl ester Formula: C18H17F2NO4S MolecularWeight: 381.393686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H17F2NO4S/c19-16-7-6-15(12-17(16)20)26(23,24)21-10-8-13(9-11-21)18(22)25-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2