N-tert-butyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(4,5-dimethoxy-2-methylphenyl)methylthio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(4,5-dimethoxy-2-methyl-benzyl)thio]-3-nitro-benzenesulfonamide Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H26N2O6S2/c1-13-9-17(27-5)18(28-6)10-14(13)12-29-19-8-7-15(11-16(19)22(23)24)30(25,26)21-20(2,3)4/h7-11,21H,12H2,1-6H3