2-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methoxy-N-[3-(2-methyl-4-pyrimidinyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5-nitro-benzenesulfonamide Formula: C18H16N4O5S MolecularWeight: 400.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N4O5S/c1-12-19-9-8-16(20-12)13-4-3-5-14(10-13)21-28(25,26)18-11-15(22(23)24)6-7-17(18)27-2/h3-11,21H,1-2H3