5-(dihexadecylsulfamoyl)-2-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 5-(dihexadecylsulfamoyl)-2-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 2-benzylsulfonyl-5-(dihexadecylsulfamoyl)benzoic acid CAS Name: 5-(dihexadecylsulfamoyl)-2-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 2-benzylsulfonyl-5-(dihexadecylsulfamoyl)benzoic acid Traditional Name: 2-benzylsulfonyl-5-(dicetylsulfamoyl)benzoic acid Formula: C46H77NO6S2 MolecularWeight: 804.23668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C46H77NO6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-38-47(39-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)55(52,53)43-36-37-45(44(40-43)46(48)49)54(50,51)41-42-34-30-29-31-35-42/h29-31,34-37,40H,3-28,32-33,38-39,41H2,1-2H3,(H,48,49)