N-[5-(azepan-1-yl)-2-methyl-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide

Systemtic Name: N-[5-(azepan-1-yl)-2-methyl-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide Openeye Name: N-[5-(azepan-1-yl)-2-methyl-phenyl]-1,1,1-trifluoro-methanesulfonamide CAS Name: N-[5-(1-azepanyl)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide IUPAC Name: N-[5-(azepan-1-yl)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide Traditional Name: N-[5-(azepan-1-yl)-2-methyl-phenyl]-1,1,1-trifluoro-methanesulfonamide Formula: C14H19F3N2O2S MolecularWeight: 336.37307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCCCCC2)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCCCCC2)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H19F3N2O2S/c1-11-6-7-12(19-8-4-2-3-5-9-19)10-13(11)18-22(20,21)14(15,16)17/h6-7,10,18H,2-5,8-9H2,1H3