3-(azepan-1-ylsulfonyl)-N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethylsulfanyl)phenyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(difluoromethylthio)phenyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethylsulfanyl)phenyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethylthio)phenyl]-4-methoxy-benzamide Formula: C21H24F2N2O4S2 MolecularWeight: 470.553066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC(F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC(F)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24F2N2O4S2/c1-29-17-11-10-15(14-19(17)31(27,28)25-12-6-2-3-7-13-25)20(26)24-16-8-4-5-9-18(16)30-21(22)23/h4-5,8-11,14,21H,2-3,6-7,12-13H2,1H3,(H,24,26)