1-(2,4-dimethylphenyl)sulfonyl-N-[2-(3-fluoranylphenoxy)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(3-fluoranylphenoxy)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]isonipecotamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCOC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCOC3=CC(=CC=C3)F)C

InChI

InChI=1S/C22H27FN2O4S/c1-16-6-7-21(17(2)14-16)30(27,28)25-11-8-18(9-12-25)22(26)24-10-13-29-20-5-3-4-19(23)15-20/h3-7,14-15,18H,8-13H2,1-2H3,(H,24,26)