N-(3-methylphenyl)-2,4-dinitro-benzenesulfonamide

Systemtic Name: N-(3-methylphenyl)-2,4-dinitro-benzenesulfonamide Openeye Name: N-(m-tolyl)-2,4-dinitro-benzenesulfonamide CAS Name: N-(3-methylphenyl)-2,4-dinitrobenzenesulfonamide IUPAC Name: N-(3-methylphenyl)-2,4-dinitrobenzenesulfonamide Traditional Name: N-(m-tolyl)-2,4-dinitro-benzenesulfonamide Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O6S/c1-9-3-2-4-10(7-9)14-23(21,22)13-6-5-11(15(17)18)8-12(13)16(19)20/h2-8,14H,1H3