2-(3,5-dimethylphenoxy)ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C22H26FNO5S MolecularWeight: 435.508943

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO5S/c1-16-13-17(2)15-20(14-16)28-11-12-29-22(25)18-7-9-24(10-8-18)30(26,27)21-5-3-19(23)4-6-21/h3-6,13-15,18H,7-12H2,1-2H3