methyl 2-(azepan-1-ylsulfonyl)-6-[2,4-bis(fluoranyl)phenyl]carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-6-[2,4-bis(fluoranyl)phenyl]carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2,4-difluorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-6-[(2,4-difluorophenyl)-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2,4-difluorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-6-(2,4-difluorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H24F2N2O5S2 MolecularWeight: 498.563166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C3=C(C=C(C=C3)F)F)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C3=C(C=C(C=C3)F)F)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24F2N2O5S2/c1-31-21(28)19-16-8-11-25(20(27)15-7-6-14(23)12-17(15)24)13-18(16)32-22(19)33(29,30)26-9-4-2-3-5-10-26/h6-7,12H,2-5,8-11,13H2,1H3