5-tert-butyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-methyl-benzenesulfonamide

Systemtic Name: 5-tert-butyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-methyl-benzenesulfonamide Openeye Name: 5-tert-butyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-methyl-benzenesulfonamide CAS Name: 5-tert-butyl-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methylbenzenesulfonamide IUPAC Name: 5-tert-butyl-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methylbenzenesulfonamide Traditional Name: 5-tert-butyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-methyl-benzenesulfonamide Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H28N2O6S/c1-14-7-8-16(21(2,3)4)12-20(14)30(26,27)22-10-9-15-11-18(28-5)19(29-6)13-17(15)23(24)25/h7-8,11-13,22H,9-10H2,1-6H3