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

Systemtic Name: 1-[isocyano-(4-methylphenyl)sulfonyl-methyl]-4-methyl-benzene Openeye Name: 1-[isocyano(p-tolylsulfonyl)methyl]-4-methyl-benzene CAS Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-4-methylbenzene IUPAC Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-4-methylbenzene Traditional Name: 1-[isocyano(tosyl)methyl]-4-methyl-benzene Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO2S/c1-12-4-8-14(9-5-12)16(17-3)20(18,19)15-10-6-13(2)7-11-15/h4-11,16H,1-2H3