2-[2-[carboxymethyl-(4-methylphenyl)sulfonyl-amino]ethyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[2-[carboxymethyl-(4-methylphenyl)sulfonyl-amino]ethyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[2-[carboxymethyl(p-tolylsulfonyl)amino]ethyl-(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[2-[carboxymethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[2-[carboxymethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[2-[carboxymethyl(tosyl)amino]ethyl-tosyl-amino]acetic acid Formula: C20H24N2O8S2 MolecularWeight: 484.54316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O8S2/c1-15-3-7-17(8-4-15)31(27,28)21(13-19(23)24)11-12-22(14-20(25)26)32(29,30)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H,23,24)(H,25,26)