5-[[4-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[[4-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[4-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[4-[(3,4-dimethylphenyl)methylthio]phenyl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[4-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[4-[(3,4-dimethylbenzyl)thio]phenyl]sulfamoyl]-2-methyl-benzoic acid Formula: C23H23NO4S2 MolecularWeight: 441.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O)C

InChI

InChI=1S/C23H23NO4S2/c1-15-4-6-18(12-17(15)3)14-29-20-9-7-19(8-10-20)24-30(27,28)21-11-5-16(2)22(13-21)23(25)26/h4-13,24H,14H2,1-3H3,(H,25,26)