N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-1-tosyl-isonipecotamide Formula: C22H27FN2O3S2 MolecularWeight: 450.589783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S2/c1-17-3-9-21(10-4-17)30(27,28)25-14-11-18(12-15-25)22(26)24-13-2-16-29-20-7-5-19(23)6-8-20/h3-10,18H,2,11-16H2,1H3,(H,24,26)