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

Systemtic Name: 3-[[2,4-dimethyl-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[2,4-dimethyl-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[2,4-dimethyl-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[2,4-dimethyl-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[3-[mesyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonylamino]propionic acid Formula: C13H20N2O6S2 MolecularWeight: 364.4377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)NCCC(=O)O)C)N(C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)NCCC(=O)O)C)N(C)S(=O)(=O)C

InChI

InChI=1S/C13H20N2O6S2/c1-9-5-6-11(23(20,21)14-8-7-12(16)17)10(2)13(9)15(3)22(4,18)19/h5-6,14H,7-8H2,1-4H3,(H,16,17)