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

Systemtic Name: 1-[isocyano-(4-methylphenyl)sulfonyl-methyl]-2,4-dimethyl-benzene Openeye Name: 1-[isocyano(p-tolylsulfonyl)methyl]-2,4-dimethyl-benzene CAS Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-2,4-dimethylbenzene IUPAC Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-2,4-dimethylbenzene Traditional Name: 1-[isocyano(tosyl)methyl]-2,4-dimethyl-benzene Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2S/c1-12-5-8-15(9-6-12)21(19,20)17(18-4)16-10-7-13(2)11-14(16)3/h5-11,17H,1-3H3