N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-[bis(fluoranyl)methoxy]benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-[bis(fluoranyl)methoxy]benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(difluoromethoxy)benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(difluoromethoxy)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(difluoromethoxy)benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(difluoromethoxy)benzamide Formula: C21H24F2N2O5S MolecularWeight: 454.487466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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