2-methyl-N-(4-methylsulfonylphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-(4-methylsulfonylphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-(4-methylsulfonylphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-(4-methylsulfonylphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-(4-methylsulfonylphenyl)-5-nitrobenzenesulfonamide Traditional Name: N-(4-mesylphenyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C14H14N2O6S2 MolecularWeight: 370.40076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H14N2O6S2/c1-10-3-6-12(16(17)18)9-14(10)24(21,22)15-11-4-7-13(8-5-11)23(2,19)20/h3-9,15H,1-2H3