N-(2-bromanyl-4,5-dimethoxy-phenyl)sulfanyl-3-(1-methylpyrrolidin-3-yl)oxy-4-(trifluoromethyl)aniline

Systemtic Name: N-(2-bromanyl-4,5-dimethoxy-phenyl)sulfanyl-3-(1-methylpyrrolidin-3-yl)oxy-4-(trifluoromethyl)aniline Openeye Name: N-(2-bromo-4,5-dimethoxy-phenyl)sulfanyl-3-(1-methylpyrrolidin-3-yl)oxy-4-(trifluoromethyl)aniline CAS Name: 2-bromo-4,5-dimethoxy-N-[3-[(1-methyl-3-pyrrolidinyl)oxy]-4-(trifluoromethyl)phenyl]benzenesulfenamide IUPAC Name: N-(2-bromo-4,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrrolidin-3-yl)oxy-4-(trifluoromethyl)aniline Traditional Name: [(2-bromo-4,5-dimethoxy-phenyl)thio]-[3-(1-methylpyrrolidin-3-yl)oxy-4-(trifluoromethyl)phenyl]amine Formula: C20H22BrF3N2O3S MolecularWeight: 507.36449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC2=C(C=CC(=C2)NSC3=C(C=C(C(=C3)OC)OC)Br)C(F)(F)F

Isomeric SMILES

CN1CCC(C1)OC2=C(C=CC(=C2)NSC3=C(C=C(C(=C3)OC)OC)Br)C(F)(F)F

InChI

InChI=1S/C20H22BrF3N2O3S/c1-26-7-6-13(11-26)29-16-8-12(4-5-14(16)20(22,23)24)25-30-19-10-18(28-3)17(27-2)9-15(19)21/h4-5,8-10,13,25H,6-7,11H2,1-3H3