5-[[4-(2,5-dimethylphenyl)sulfanylphenyl]sulfamoyl]-2-methyl-benzoate

Systemtic Name: 5-[[4-(2,5-dimethylphenyl)sulfanylphenyl]sulfamoyl]-2-methyl-benzoate Openeye Name: 5-[[4-(2,5-dimethylphenyl)sulfanylphenyl]sulfamoyl]-2-methyl-benzoate CAS Name: 5-[[4-[(2,5-dimethylphenyl)thio]phenyl]sulfamoyl]-2-methylbenzoate IUPAC Name: 5-[[4-(2,5-dimethylphenyl)sulfanylphenyl]sulfamoyl]-2-methylbenzoate Traditional Name: 5-[[4-[(2,5-dimethylphenyl)thio]phenyl]sulfamoyl]-2-methyl-benzoate Formula: C22H20NO4S2- MolecularWeight: 426.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)[O-]

InChI

InChI=1S/C22H21NO4S2/c1-14-4-5-16(3)21(12-14)28-18-9-7-17(8-10-18)23-29(26,27)19-11-6-15(2)20(13-19)22(24)25/h4-13,23H,1-3H3,(H,24,25)/p-1