2-[5-bromanyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-3-yl]sulfanyl-N,N-dimethyl-ethanamine

Systemtic Name: 2-[5-bromanyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-3-yl]sulfanyl-N,N-dimethyl-ethanamine Openeye Name: 2-[5-bromo-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-3-yl]sulfanyl-N,N-dimethyl-ethanamine CAS Name: 2-[[5-bromo-1-[3-(trifluoromethyl)phenyl]sulfonyl-3-indolyl]thio]-N,N-dimethylethanamine IUPAC Name: 2-[5-bromo-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]sulfanyl-N,N-dimethylethanamine Traditional Name: 2-[[5-bromo-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-3-yl]thio]ethyl-dimethyl-amine Formula: C19H18BrF3N2O2S2 MolecularWeight: 507.38763

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CN(C2=C1C=C(C=C2)Br)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN(C)CCSC1=CN(C2=C1C=C(C=C2)Br)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H18BrF3N2O2S2/c1-24(2)8-9-28-18-12-25(17-7-6-14(20)11-16(17)18)29(26,27)15-5-3-4-13(10-15)19(21,22)23/h3-7,10-12H,8-9H2,1-2H3