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

Systemtic Name: 4-chloranyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitro-benzenesulfonamide Formula: C18H16ClN5O6S2 MolecularWeight: 497.93254

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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(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O6S2/c1-11-9-12(2)21-18(20-11)23-31(27,28)14-5-3-13(4-6-14)22-32(29,30)15-7-8-16(19)17(10-15)24(25)26/h3-10,22H,1-2H3,(H,20,21,23)