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

Systemtic Name: 3-[[2,4-dimethyl-3-[methyl(phenylsulfonyl)amino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethylphenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethylphenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[3-[besyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonylamino]propionic acid Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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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)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S2/c1-13-9-10-16(27(23,24)19-12-11-17(21)22)14(2)18(13)20(3)28(25,26)15-7-5-4-6-8-15/h4-10,19H,11-12H2,1-3H3,(H,21,22)