3-[2-[2-carboxyethyl-(4-methylphenyl)sulfonyl-amino]ethyl-(4-methylphenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[2-[2-carboxyethyl-(4-methylphenyl)sulfonyl-amino]ethyl-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[2-[2-carboxyethyl(p-tolylsulfonyl)amino]ethyl-(p-tolylsulfonyl)amino]propanoic acid CAS Name: 3-[2-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[2-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[2-[2-carboxyethyl(tosyl)amino]ethyl-tosyl-amino]propionic acid Formula: C22H28N2O8S2 MolecularWeight: 512.59632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CCN(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CCN(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H28N2O8S2/c1-17-3-7-19(8-4-17)33(29,30)23(13-11-21(25)26)15-16-24(14-12-22(27)28)34(31,32)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3,(H,25,26)(H,27,28)