3-(azepan-1-ylsulfonyl)-N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-benzamide Formula: C21H22F4N2O4S MolecularWeight: 474.468993

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)C(F)(F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)C(F)(F)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H22F4N2O4S/c1-31-18-9-6-14(12-19(18)32(29,30)27-10-4-2-3-5-11-27)20(28)26-15-7-8-17(22)16(13-15)21(23,24)25/h6-9,12-13H,2-5,10-11H2,1H3,(H,26,28)