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

Systemtic Name: 3-[[4-[2-(2-methylphenyl)sulfanylethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(o-tolylsulfanyl)acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(o-tolylthio)acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C18H20N2O5S2/c1-13-4-2-3-5-16(13)26-12-17(21)20-14-6-8-15(9-7-14)27(24,25)19-11-10-18(22)23/h2-9,19H,10-12H2,1H3,(H,20,21)(H,22,23)