N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide Formula: C22H25F3N2O4S MolecularWeight: 470.50511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H25F3N2O4S/c1-31-20-10-9-18(32(29,30)27-11-4-2-3-5-12-27)15-19(20)26-21(28)14-16-7-6-8-17(13-16)22(23,24)25/h6-10,13,15H,2-5,11-12,14H2,1H3,(H,26,28)