N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(4-mesylphenyl)ethyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S2/c1-12(13-4-8-15(9-5-13)25(3,21)22)17(2)26(23,24)16-10-6-14(7-11-16)18(19)20/h4-12H,1-3H3