5-[[4-[(4-tert-butylphenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[[4-[(4-tert-butylphenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[4-[(4-tert-butylphenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[4-[(4-tert-butylphenyl)methylthio]phenyl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[4-[(4-tert-butylphenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[4-[(4-tert-butylbenzyl)thio]phenyl]sulfamoyl]-2-methyl-benzoic acid Formula: C25H27NO4S2 MolecularWeight: 469.61618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C25H27NO4S2/c1-17-5-14-22(15-23(17)24(27)28)32(29,30)26-20-10-12-21(13-11-20)31-16-18-6-8-19(9-7-18)25(2,3)4/h5-15,26H,16H2,1-4H3,(H,27,28)