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

Systemtic Name: 5-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[4-[(4-chlorophenyl)methylthio]phenyl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[4-[(4-chlorobenzyl)thio]phenyl]sulfamoyl]-2-methyl-benzoic acid Formula: C21H18ClNO4S2 MolecularWeight: 447.95492

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO4S2/c1-14-2-11-19(12-20(14)21(24)25)29(26,27)23-17-7-9-18(10-8-17)28-13-15-3-5-16(22)6-4-15/h2-12,23H,13H2,1H3,(H,24,25)