(2-fluorophenyl) 3-methyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: (2-fluorophenyl) 3-methyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: (2-fluorophenyl) 3-methyl-1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) 3-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 3-methyl-1-tosyl-isonipecotic acid (2-fluorophenyl) ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1C(=O)OC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CN(CCC1C(=O)OC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H22FNO4S/c1-14-7-9-16(10-8-14)27(24,25)22-12-11-17(15(2)13-22)20(23)26-19-6-4-3-5-18(19)21/h3-10,15,17H,11-13H2,1-2H3