N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitro-benzamide

Systemtic Name: N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-(p-tolyl)-N-(p-tolylsulfonyl)benzamide CAS Name: N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitrobenzamide IUPAC Name: N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-(p-tolyl)-N-tosyl-benzamide Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O7S/c1-14-3-7-17(8-4-14)22(32(30,31)20-9-5-15(2)6-10-20)21(25)16-11-18(23(26)27)13-19(12-16)24(28)29/h3-13H,1-2H3