1-[isocyano-(4-methylphenyl)sulfonyl-methyl]-3-methyl-benzene

Systemtic Name: 1-[isocyano-(4-methylphenyl)sulfonyl-methyl]-3-methyl-benzene Openeye Name: 1-[isocyano(p-tolylsulfonyl)methyl]-3-methyl-benzene CAS Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-3-methylbenzene IUPAC Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-3-methylbenzene Traditional Name: 1-[isocyano(tosyl)methyl]-3-methyl-benzene Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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