N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-homoveratryl-isonipecotamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H27FN2O5S/c1-29-20-8-3-16(15-21(20)30-2)9-12-24-22(26)17-10-13-25(14-11-17)31(27,28)19-6-4-18(23)5-7-19/h3-8,15,17H,9-14H2,1-2H3,(H,24,26)