3-nitro-4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]benzenesulfonamide Openeye Name: 3-nitro-4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]benzenesulfonamide CAS Name: 3-nitro-4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]benzenesulfonamide IUPAC Name: 3-nitro-4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]benzenesulfonamide Traditional Name: 3-nitro-4-[4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-1-yl]benzenesulfonamide Formula: C19H21F3N4O4S MolecularWeight: 458.45465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O4S/c20-19(21,22)15-4-2-14(3-5-15)13-24-8-1-9-25(11-10-24)17-7-6-16(31(23,29)30)12-18(17)26(27)28/h2-7,12H,1,8-11,13H2,(H2,23,29,30)