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

Systemtic Name: N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitro-benzamide Openeye Name: N-(4-methoxyphenyl)-3,5-dinitro-N-(p-tolylsulfonyl)benzamide CAS Name: N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitrobenzamide IUPAC Name: N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitrobenzamide Traditional Name: N-(4-methoxyphenyl)-3,5-dinitro-N-tosyl-benzamide Formula: C21H17N3O8S MolecularWeight: 471.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O8S/c1-14-3-9-20(10-4-14)33(30,31)22(16-5-7-19(32-2)8-6-16)21(25)15-11-17(23(26)27)13-18(12-15)24(28)29/h3-13H,1-2H3