2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]-1-(phenylmethylsulfanyl)propan-2-ol

Systemtic Name: 2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]-1-(phenylmethylsulfanyl)propan-2-ol Openeye Name: 1-benzylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol CAS Name: 2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)-2-indolyl]-1-(phenylmethylthio)-2-propanol IUPAC Name: 1-benzylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol Traditional Name: 1-(benzylthio)-2-[1-mesyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol Formula: C20H19F3N2O5S2 MolecularWeight: 488.50047

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CC=C1)(C2=CC3=CC(=C(C=C3N2S(=O)(=O)C)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC(CSCC1=CC=CC=C1)(C2=CC3=CC(=C(C=C3N2S(=O)(=O)C)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C20H19F3N2O5S2/c1-19(26,12-31-11-13-6-4-3-5-7-13)18-9-14-8-17(25(27)28)15(20(21,22)23)10-16(14)24(18)32(2,29)30/h3-10,26H,11-12H2,1-2H3