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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(trifluoromethyl)benzamide Formula: C21H23F3N2O4S MolecularWeight: 456.47853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O4S/c1-30-19-10-9-17(31(28,29)26-11-4-2-3-5-12-26)14-18(19)25-20(27)15-7-6-8-16(13-15)21(22,23)24/h6-10,13-14H,2-5,11-12H2,1H3,(H,25,27)