(2,5-dimethylphenyl) 4-sulfamoylbenzenesulfonate

Systemtic Name: (2,5-dimethylphenyl) 4-sulfamoylbenzenesulfonate Openeye Name: (2,5-dimethylphenyl) 4-sulfamoylbenzenesulfonate CAS Name: 4-sulfamoylbenzenesulfonic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 4-sulfamoylbenzenesulfonate Traditional Name: 4-sulfamoylbenzenesulfonic acid (2,5-dimethylphenyl) ester Formula: C14H15NO5S2 MolecularWeight: 341.4026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5S2/c1-10-3-4-11(2)14(9-10)20-22(18,19)13-7-5-12(6-8-13)21(15,16)17/h3-9H,1-2H3,(H2,15,16,17)