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

Systemtic Name: 3-[[4-(2-phenylsulfanylethanoylamino)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(2-phenylsulfanylacetyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(2-phenylsulfanylacetyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(phenylthio)acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S2/c20-16(12-25-14-4-2-1-3-5-14)19-13-6-8-15(9-7-13)26(23,24)18-11-10-17(21)22/h1-9,18H,10-12H2,(H,19,20)(H,21,22)