N1,N1-dimethyl-N4-(2-methylsulfonylsulfanylethyl)-2,6-dinitro-benzene-1,4-diamine

Systemtic Name: N1,N1-dimethyl-N4-(2-methylsulfonylsulfanylethyl)-2,6-dinitro-benzene-1,4-diamine Openeye Name: N1,N1-dimethyl-N4-(2-methylsulfonylsulfanylethyl)-2,6-dinitro-benzene-1,4-diamine CAS Name: N1,N1-dimethyl-N4-[2-(methylsulfonylthio)ethyl]-2,6-dinitrobenzene-1,4-diamine IUPAC Name: 1-N,1-N-dimethyl-4-N-(2-methylsulfonylsulfanylethyl)-2,6-dinitrobenzene-1,4-diamine Traditional Name: [4-[2-(mesylthio)ethylamino]-2,6-dinitro-phenyl]-dimethyl-amine Formula: C11H16N4O6S2 MolecularWeight: 364.39794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1[N+](=O)[O-])NCCSS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1[N+](=O)[O-])NCCSS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O6S2/c1-13(2)11-9(14(16)17)6-8(7-10(11)15(18)19)12-4-5-22-23(3,20)21/h6-7,12H,4-5H2,1-3H3