N-(4-methyl-3-nitro-phenyl)-N-methylsulfonyl-methanesulfonamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-N-methylsulfonyl-methanesulfonamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-N-methylsulfonyl-methanesulfonamide CAS Name: N-(4-methyl-3-nitrophenyl)-N-methylsulfonylmethanesulfonamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-N-methylsulfonylmethanesulfonamide Traditional Name: N-mesyl-N-(4-methyl-3-nitro-phenyl)methanesulfonamide Formula: C9H12N2O6S2 MolecularWeight: 308.33138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O6S2/c1-7-4-5-8(6-9(7)10(12)13)11(18(2,14)15)19(3,16)17/h4-6H,1-3H3