(4-tert-butyl-2-methyl-phenyl) 3-sulfamoylbenzenesulfonate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-sulfamoylbenzenesulfonate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-sulfamoylbenzenesulfonate CAS Name: 3-sulfamoylbenzenesulfonic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-sulfamoylbenzenesulfonate Traditional Name: 3-sulfamoylbenzenesulfonic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C17H21NO5S2 MolecularWeight: 383.48234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

InChI

InChI=1S/C17H21NO5S2/c1-12-10-13(17(2,3)4)8-9-16(12)23-25(21,22)15-7-5-6-14(11-15)24(18,19)20/h5-11H,1-4H3,(H2,18,19,20)