N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide Formula: C17H15N5O6S2 MolecularWeight: 449.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O6S2/c1-12-10-11-18-17(19-12)21-29(25,26)14-8-6-13(7-9-14)20-30(27,28)16-5-3-2-4-15(16)22(23)24/h2-11,20H,1H3,(H,18,19,21)