1-(4-methoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-4-ium Formula: C20H24F3N2O3S+ MolecularWeight: 429.47637

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O3S/c1-28-18-7-9-19(10-8-18)29(26,27)25-12-2-11-24(13-14-25)15-16-3-5-17(6-4-16)20(21,22)23/h3-10H,2,11-15H2,1H3/p+1