1-methylsulfonyl-2-(2-oxidanylhexan-2-yl)-6-(trifluoromethyl)indole-5-carbonitrile

Systemtic Name: 1-methylsulfonyl-2-(2-oxidanylhexan-2-yl)-6-(trifluoromethyl)indole-5-carbonitrile Openeye Name: 2-(1-hydroxy-1-methyl-pentyl)-1-methylsulfonyl-6-(trifluoromethyl)indole-5-carbonitrile CAS Name: 2-(2-hydroxyhexan-2-yl)-1-methylsulfonyl-6-(trifluoromethyl)-5-indolecarbonitrile IUPAC Name: 2-(2-hydroxyhexan-2-yl)-1-methylsulfonyl-6-(trifluoromethyl)indole-5-carbonitrile Traditional Name: 2-(1-hydroxy-1-methyl-pentyl)-1-mesyl-6-(trifluoromethyl)indole-5-carbonitrile Formula: C17H19F3N2O3S MolecularWeight: 388.40457

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C1=CC2=C(N1S(=O)(=O)C)C=C(C(=C2)C#N)C(F)(F)F)O

Isomeric SMILES

CCCCC(C)(C1=CC2=C(N1S(=O)(=O)C)C=C(C(=C2)C#N)C(F)(F)F)O

InChI

InChI=1S/C17H19F3N2O3S/c1-4-5-6-16(2,23)15-8-11-7-12(10-21)13(17(18,19)20)9-14(11)22(15)26(3,24)25/h7-9,23H,4-6H2,1-3H3