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

Systemtic Name: N-(4-butylphenyl)-4-methyl-N-(4-methylphenyl)sulfonyl-3,5-dinitro-benzamide Openeye Name: N-(4-butylphenyl)-4-methyl-3,5-dinitro-N-(p-tolylsulfonyl)benzamide CAS Name: N-(4-butylphenyl)-4-methyl-N-(4-methylphenyl)sulfonyl-3,5-dinitrobenzamide IUPAC Name: N-(4-butylphenyl)-4-methyl-N-(4-methylphenyl)sulfonyl-3,5-dinitrobenzamide Traditional Name: N-(4-butylphenyl)-4-methyl-3,5-dinitro-N-tosyl-benzamide Formula: C25H25N3O7S MolecularWeight: 511.5469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H25N3O7S/c1-4-5-6-19-9-11-21(12-10-19)26(36(34,35)22-13-7-17(2)8-14-22)25(29)20-15-23(27(30)31)18(3)24(16-20)28(32)33/h7-16H,4-6H2,1-3H3