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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3,4-tris(fluoranyl)benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3,4-trifluoro-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2,3,4-trifluorobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,3,4-trifluorobenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3,4-trifluoro-benzenesulfonamide Formula: C19H21F3N2O4S2 MolecularWeight: 462.50625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C=C2)F)F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C=C2)F)F)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H21F3N2O4S2/c1-13-6-7-14(12-17(13)30(27,28)24-10-4-2-3-5-11-24)23-29(25,26)16-9-8-15(20)18(21)19(16)22/h6-9,12,23H,2-5,10-11H2,1H3