N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoranyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoranyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-fluoro-N-homoveratryl-5-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=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)F)OC

Isomeric SMILES

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

InChI

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