N,1-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)-3,5-dinitro-4H-pyridin-2-amine

Systemtic Name: N,1-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)-3,5-dinitro-4H-pyridin-2-amine Openeye Name: N,1-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)-3,5-dinitro-4H-pyridin-2-amine CAS Name: N,1-dimethyl-6-(4-methylsulfonyl-1-piperazinyl)-3,5-dinitro-4H-pyridin-2-amine IUPAC Name: N,1-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)-3,5-dinitro-4H-pyridin-2-amine Traditional Name: [6-(4-mesylpiperazino)-1-methyl-3,5-dinitro-4H-pyridin-2-yl]-methyl-amine Formula: C12H20N6O6S MolecularWeight: 376.3888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(CC(=C(N1C)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(CC(=C(N1C)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H20N6O6S/c1-13-11-9(17(19)20)8-10(18(21)22)12(14(11)2)15-4-6-16(7-5-15)25(3,23)24/h13H,4-8H2,1-3H3