(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-methoxy-5-sulfamoyl-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC)C)C(C)(C)C

InChI

InChI=1S/C21H27NO5S/c1-13-9-15(21(3,4)5)10-14(2)18(13)12-27-20(23)17-11-16(28(22,24)25)7-8-19(17)26-6/h7-11H,12H2,1-6H3,(H2,22,24,25)