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

Systemtic Name: 2-(3-methylphenoxy)ethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid 2-(3-methylphenoxy)ethyl ester Formula: C21H23F2NO5S MolecularWeight: 439.472826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H23F2NO5S/c1-15-3-2-4-17(13-15)28-11-12-29-21(25)16-7-9-24(10-8-16)30(26,27)18-5-6-19(22)20(23)14-18/h2-6,13-14,16H,7-12H2,1H3