ethyl 4-(5-fluoranyl-2-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(5-fluoranyl-2-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(5-fluoro-2-methyl-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 4-(5-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 4-(5-fluoro-2-methyl-phenyl)-1-tosyl-isonipecotic acid ethyl ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C3=C(C=CC(=C3)F)C

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C3=C(C=CC(=C3)F)C

InChI

InChI=1S/C22H26FNO4S/c1-4-28-21(25)22(20-15-18(23)8-7-17(20)3)11-13-24(14-12-22)29(26,27)19-9-5-16(2)6-10-19/h5-10,15H,4,11-14H2,1-3H3