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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[bis(fluoranyl)methoxy]-3-methoxy-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(difluoromethoxy)-3-methoxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(difluoromethoxy)-3-methoxy-benzamide Formula: C21H24F2N2O5S MolecularWeight: 454.487466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24F2N2O5S/c1-29-19-13-15(9-10-18(19)30-21(22)23)20(26)24-16-7-6-8-17(14-16)31(27,28)25-11-4-2-3-5-12-25/h6-10,13-14,21H,2-5,11-12H2,1H3,(H,24,26)