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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O

InChI

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