1-(4-fluorophenyl)ethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(4-fluorophenyl)ethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(4-fluorophenyl)ethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 1-(4-fluorophenyl)ethyl ester IUPAC Name: 1-(4-fluorophenyl)ethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid 1-(4-fluorophenyl)ethyl ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FNO4S/c1-15-4-9-21(14-16(15)2)29(26,27)24-12-10-19(11-13-24)22(25)28-17(3)18-5-7-20(23)8-6-18/h4-9,14,17,19H,10-13H2,1-3H3