(2,2-dimethyl-1-sulfamoyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-1-sulfamoyl-propyl) 4-methylbenzenesulfonate Openeye Name: (2,2-dimethyl-1-sulfamoyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-1-sulfamoylpropyl) ester IUPAC Name: (2,2-dimethyl-1-sulfamoylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-1-sulfamoyl-propyl) ester Formula: C12H19NO5S2 MolecularWeight: 321.41296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)(C)C)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)(C)C)S(=O)(=O)N

InChI

InChI=1S/C12H19NO5S2/c1-9-5-7-10(8-6-9)20(16,17)18-11(12(2,3)4)19(13,14)15/h5-8,11H,1-4H3,(H2,13,14,15)