[4-(4-methylphenoxy)phenyl] 3-sulfamoylbenzenesulfonate

Systemtic Name: [4-(4-methylphenoxy)phenyl] 3-sulfamoylbenzenesulfonate Openeye Name: [4-(4-methylphenoxy)phenyl] 3-sulfamoylbenzenesulfonate CAS Name: 3-sulfamoylbenzenesulfonic acid [4-(4-methylphenoxy)phenyl] ester IUPAC Name: [4-(4-methylphenoxy)phenyl] 3-sulfamoylbenzenesulfonate Traditional Name: 3-sulfamoylbenzenesulfonic acid [4-(4-methylphenoxy)phenyl] ester Formula: C19H17NO6S2 MolecularWeight: 419.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C19H17NO6S2/c1-14-5-7-15(8-6-14)25-16-9-11-17(12-10-16)26-28(23,24)19-4-2-3-18(13-19)27(20,21)22/h2-13H,1H3,(H2,20,21,22)