N-methyl-3-nitro-4-[2-(pyrimidin-2-ylamino)ethylamino]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[2-(pyrimidin-2-ylamino)ethylamino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[2-(pyrimidin-2-ylamino)ethylamino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[2-(2-pyrimidinylamino)ethylamino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[2-(pyrimidin-2-ylamino)ethylamino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[2-(2-pyrimidylamino)ethylamino]benzenesulfonamide Formula: C13H16N6O4S MolecularWeight: 352.36894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=NC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=NC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O4S/c1-14-24(22,23)10-3-4-11(12(9-10)19(20)21)15-7-8-18-13-16-5-2-6-17-13/h2-6,9,14-15H,7-8H2,1H3,(H,16,17,18)