5-(dimethylsulfamoyl)-2-hexadecylsulfanyl-benzoic acid

Systemtic Name: 5-(dimethylsulfamoyl)-2-hexadecylsulfanyl-benzoic acid Openeye Name: 5-(dimethylsulfamoyl)-2-hexadecylsulfanyl-benzoic acid CAS Name: 5-(dimethylsulfamoyl)-2-(hexadecylthio)benzoic acid IUPAC Name: 5-(dimethylsulfamoyl)-2-hexadecylsulfanylbenzoic acid Traditional Name: 2-(cetylthio)-5-(dimethylsulfamoyl)benzoic acid Formula: C25H43NO4S2 MolecularWeight: 485.74322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)O

InChI

InChI=1S/C25H43NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-24-19-18-22(21-23(24)25(27)28)32(29,30)26(2)3/h18-19,21H,4-17,20H2,1-3H3,(H,27,28)