N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[2-(trifluoromethyl)phenoxy]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[2-(trifluoromethyl)phenoxy]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide Formula: C22H25F3N2O5S MolecularWeight: 486.50451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H25F3N2O5S/c1-31-20-11-10-16(33(29,30)27-12-6-2-3-7-13-27)14-18(20)26-21(28)15-32-19-9-5-4-8-17(19)22(23,24)25/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,26,28)