N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-fluoranyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-fluoranyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-fluoro-2-nitro-phenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-fluoro-2-nitro-phenoxy)acetamide Formula: C21H24FN3O6S MolecularWeight: 465.495163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24FN3O6S/c1-15-6-8-17(13-20(15)32(29,30)24-10-4-2-3-5-11-24)23-21(26)14-31-19-12-16(22)7-9-18(19)25(27)28/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,26)