2-[(4-methylphenyl)sulfonylamino]-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Openeye Name: 2-(p-tolylsulfonylamino)-3-[4-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Traditional Name: 2-(tosylamino)-3-(4-tosyloxyphenyl)propionic acid Formula: C23H23NO7S2 MolecularWeight: 489.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C23H23NO7S2/c1-16-3-11-20(12-4-16)32(27,28)24-22(23(25)26)15-18-7-9-19(10-8-18)31-33(29,30)21-13-5-17(2)6-14-21/h3-14,22,24H,15H2,1-2H3,(H,25,26)