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

Systemtic Name: 4-[isocyano-(4-methylphenyl)sulfonyl-methyl]-2-methyl-1-nitro-benzene Openeye Name: 4-[isocyano(p-tolylsulfonyl)methyl]-2-methyl-1-nitro-benzene CAS Name: 4-[isocyano-(4-methylphenyl)sulfonylmethyl]-2-methyl-1-nitrobenzene IUPAC Name: 4-[isocyano-(4-methylphenyl)sulfonylmethyl]-2-methyl-1-nitrobenzene Traditional Name: 4-[isocyano(tosyl)methyl]-2-methyl-1-nitro-benzene Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4S/c1-11-4-7-14(8-5-11)23(21,22)16(17-3)13-6-9-15(18(19)20)12(2)10-13/h4-10,16H,1-2H3