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

Systemtic Name: 3-[[4-(2-phenylsulfanylpropanoylamino)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-(2-phenylsulfanylpropanoylamino)phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[1-oxo-2-(phenylthio)propyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-(2-phenylsulfanylpropanoylamino)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[2-(phenylthio)propanoylamino]phenyl]sulfonylamino]propionic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O)SC2=CC=CC=C2

InChI

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