3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[2-(trifluoromethyloxy)phenyl]methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[2-(trifluoromethyloxy)phenyl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(trifluoromethoxy)benzyl]benzamide Formula: C22H25F3N2O5S MolecularWeight: 486.50451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2OC(F)(F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2OC(F)(F)F)S(=O)(=O)N3CCCCCC3

InChI

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