1-[isocyano-(4-methylphenyl)sulfonyl-methyl]-2-(trifluoromethyl)benzene

Systemtic Name: 1-[isocyano-(4-methylphenyl)sulfonyl-methyl]-2-(trifluoromethyl)benzene Openeye Name: 1-[isocyano(p-tolylsulfonyl)methyl]-2-(trifluoromethyl)benzene CAS Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-2-(trifluoromethyl)benzene IUPAC Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-2-(trifluoromethyl)benzene Traditional Name: 1-[isocyano(tosyl)methyl]-2-(trifluoromethyl)benzene Formula: C16H12F3NO2S MolecularWeight: 339.33219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2C(F)(F)F)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2C(F)(F)F)[N+]#[C-]

InChI

InChI=1S/C16H12F3NO2S/c1-11-7-9-12(10-8-11)23(21,22)15(20-2)13-5-3-4-6-14(13)16(17,18)19/h3-10,15H,1H3