N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3,5-dinitro-benzamide Formula: C21H18N4O7S MolecularWeight: 470.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O7S/c1-13-3-8-20(14(2)9-13)23-33(31,32)19-6-4-16(5-7-19)22-21(26)15-10-17(24(27)28)12-18(11-15)25(29)30/h3-12,23H,1-2H3,(H,22,26)