N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3,4-tris(fluoranyl)benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3,4-tris(fluoranyl)benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3,4-trifluoro-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2,3,4-trifluorobenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,3,4-trifluorobenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3,4-trifluoro-benzenesulfonamide Formula: C19H21F3N2O5S2 MolecularWeight: 478.50565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C19H21F3N2O5S2/c1-29-16-8-6-13(31(27,28)24-10-4-2-3-5-11-24)12-15(16)23-30(25,26)17-9-7-14(20)18(21)19(17)22/h6-9,12,23H,2-5,10-11H2,1H3