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

Systemtic Name: 1-butylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol Openeye Name: 1-butylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol CAS Name: 1-(butylthio)-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)-2-indolyl]-2-propanol IUPAC Name: 1-butylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol Traditional Name: 1-(butylthio)-2-[1-mesyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol Formula: C17H21F3N2O5S2 MolecularWeight: 454.48425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21F3N2O5S2/c1-4-5-6-28-10-16(2,23)15-8-11-7-14(22(24)25)12(17(18,19)20)9-13(11)21(15)29(3,26)27/h7-9,23H,4-6,10H2,1-3H3