(2-ethyl-3-sulfamoyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-ethyl-3-sulfamoyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-ethyl-3-sulfamoyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-ethyl-3-sulfamoylphenyl) ester IUPAC Name: (2-ethyl-3-sulfamoylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-ethyl-3-sulfamoyl-phenyl) ester Formula: C15H17NO5S2 MolecularWeight: 355.42918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1S(=O)(=O)N)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=C(C=CC=C1S(=O)(=O)N)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H17NO5S2/c1-3-13-14(5-4-6-15(13)22(16,17)18)21-23(19,20)12-9-7-11(2)8-10-12/h4-10H,3H2,1-2H3,(H2,16,17,18)