N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-nitro-benzenesulfonamide Formula: C18H17N5O6S2 MolecularWeight: 463.48748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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