3-[[4-[2-(2,4-dimethylphenyl)sulfanylethanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(2,4-dimethylphenyl)sulfanylethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-[(2,4-dimethylphenyl)thio]-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-[(2,4-dimethylphenyl)thio]acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)C

InChI

InChI=1S/C19H22N2O5S2/c1-13-3-8-17(14(2)11-13)27-12-18(22)21-15-4-6-16(7-5-15)28(25,26)20-10-9-19(23)24/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)(H,23,24)