(2,5-dimethylphenyl) 3-sulfamoylbenzenesulfonate

Systemtic Name: (2,5-dimethylphenyl) 3-sulfamoylbenzenesulfonate Openeye Name: (2,5-dimethylphenyl) 3-sulfamoylbenzenesulfonate CAS Name: 3-sulfamoylbenzenesulfonic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 3-sulfamoylbenzenesulfonate Traditional Name: 3-sulfamoylbenzenesulfonic acid (2,5-dimethylphenyl) ester Formula: C14H15NO5S2 MolecularWeight: 341.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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