N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide Formula: C18H17N5O6S2 MolecularWeight: 463.48748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O6S2/c1-12-11-13(2)20-18(19-12)22-30(26,27)15-9-7-14(8-10-15)21-31(28,29)17-6-4-3-5-16(17)23(24)25/h3-11,21H,1-2H3,(H,19,20,22)