4-methylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]butan-2-ol

Systemtic Name: 4-methylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]butan-2-ol Openeye Name: 4-methylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]butan-2-ol CAS Name: 2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)-2-indolyl]-4-(methylthio)-2-butanol IUPAC Name: 4-methylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]butan-2-ol Traditional Name: 2-[1-mesyl-5-nitro-6-(trifluoromethyl)indol-2-yl]-4-(methylthio)butan-2-ol Formula: C15H17F3N2O5S2 MolecularWeight: 426.43109

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC)(C1=CC2=CC(=C(C=C2N1S(=O)(=O)C)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC(CCSC)(C1=CC2=CC(=C(C=C2N1S(=O)(=O)C)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C15H17F3N2O5S2/c1-14(21,4-5-26-2)13-7-9-6-12(20(22)23)10(15(16,17)18)8-11(9)19(13)27(3,24)25/h6-8,21H,4-5H2,1-3H3