3-[4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[3-(methylthio)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[3-(methylthio)phenyl]sulfamoyl]phenyl]propionic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C16H17NO4S2/c1-22-14-4-2-3-13(11-14)17-23(20,21)15-8-5-12(6-9-15)7-10-16(18)19/h2-6,8-9,11,17H,7,10H2,1H3,(H,18,19)