N,2,3-trimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-nitro-benzenesulfonamide

Systemtic Name: N,2,3-trimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-nitro-benzenesulfonamide Openeye Name: N,2,3-trimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-nitro-benzenesulfonamide CAS Name: N,2,3-trimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-nitrobenzenesulfonamide IUPAC Name: N,2,3-trimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-nitrobenzenesulfonamide Traditional Name: N-[1-(4-mesylphenyl)ethyl]-N,2,3-trimethyl-5-nitro-benzenesulfonamide Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)C(C)C2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)C(C)C2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O6S2/c1-12-10-16(20(21)22)11-18(13(12)2)28(25,26)19(4)14(3)15-6-8-17(9-7-15)27(5,23)24/h6-11,14H,1-5H3