[4-[(4-sulfamoylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(4-sulfamoylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(4-sulfamoylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-(4-sulfamoylanilino)methyl]phenyl] ester IUPAC Name: [4-[(4-sulfamoylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(4-sulfamoylphenyl)carbamoyl]phenyl] ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H20N2O6S2/c1-14-3-4-15(2)20(13-14)31(27,28)29-18-9-5-16(6-10-18)21(24)23-17-7-11-19(12-8-17)30(22,25)26/h3-13H,1-2H3,(H,23,24)(H2,22,25,26)