3-[[2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[2,4-dimethyl-3-[methyl(p-tolylsulfonyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[2,4-dimethyl-3-[methyl(tosyl)amino]phenyl]sulfonylamino]propionic acid Formula: C19H24N2O6S2 MolecularWeight: 440.53366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)NCCC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)NCCC(=O)O)C

InChI

InChI=1S/C19H24N2O6S2/c1-13-5-8-16(9-6-13)29(26,27)21(4)19-14(2)7-10-17(15(19)3)28(24,25)20-12-11-18(22)23/h5-10,20H,11-12H2,1-4H3,(H,22,23)