N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-homoveratryl-3-piperidinosulfonyl-benzamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H27FN2O5S/c1-29-19-9-6-16(14-20(19)30-2)10-11-24-22(26)17-7-8-18(23)21(15-17)31(27,28)25-12-4-3-5-13-25/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,24,26)