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

Systemtic Name: 1-cyclopentylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol Openeye Name: 1-cyclopentylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol CAS Name: 1-(cyclopentylthio)-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)-2-indolyl]-2-propanol IUPAC Name: 1-cyclopentylsulfanyl-2-[1-methylsulfonyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol Traditional Name: 1-(cyclopentylthio)-2-[1-mesyl-5-nitro-6-(trifluoromethyl)indol-2-yl]propan-2-ol Formula: C18H21F3N2O5S2 MolecularWeight: 466.49495

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1CCCC1)(C2=CC3=CC(=C(C=C3N2S(=O)(=O)C)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC(CSC1CCCC1)(C2=CC3=CC(=C(C=C3N2S(=O)(=O)C)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C18H21F3N2O5S2/c1-17(24,10-29-12-5-3-4-6-12)16-8-11-7-15(23(25)26)13(18(19,20)21)9-14(11)22(16)30(2,27)28/h7-9,12,24H,3-6,10H2,1-2H3