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

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-[(4-fluorophenyl)thio]propyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-[(4-fluorophenyl)thio]propyl]isonipecotamide Formula: C23H29FN2O3S2 MolecularWeight: 464.616363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2O3S2/c1-17-4-9-22(16-18(17)2)31(28,29)26-13-10-19(11-14-26)23(27)25-12-3-15-30-21-7-5-20(24)6-8-21/h4-9,16,19H,3,10-15H2,1-2H3,(H,25,27)