N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-tosyl-isonipecotamide Formula: C22H27FN2O3S MolecularWeight: 418.524783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O3S/c1-16-4-10-21(11-5-16)29(27,28)25-14-12-19(13-15-25)22(26)24(3)17(2)18-6-8-20(23)9-7-18/h4-11,17,19H,12-15H2,1-3H3