3-(dimethylsulfamoyl)-5-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-(dimethylsulfamoyl)-5-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-benzylsulfanyl-5-(dimethylsulfamoyl)benzoic acid CAS Name: 3-(dimethylsulfamoyl)-5-(phenylmethylthio)benzoic acid IUPAC Name: 3-benzylsulfanyl-5-(dimethylsulfamoyl)benzoic acid Traditional Name: 3-(benzylthio)-5-(dimethylsulfamoyl)benzoic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=CC(=C1)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=CC(=C1)SCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H17NO4S2/c1-17(2)23(20,21)15-9-13(16(18)19)8-14(10-15)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,19)