[3-(dimethylsulfamoyl)phenyl]methyl 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6S/c1-20(2,3)17-10-9-15(12-18(17)22(24)25)19(23)28-13-14-7-6-8-16(11-14)29(26,27)21(4)5/h6-12H,13H2,1-5H3