3-[2-oxidanylidene-2-[4-(phenylsulfonylamino)phenyl]ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylsulfonylamino)phenyl]ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[4-(benzenesulfonamido)phenyl]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[4-(benzenesulfonamido)phenyl]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[4-(benzenesulfonamido)phenyl]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[4-(benzenesulfonamido)phenyl]-2-keto-ethyl]thio]propionic acid Formula: C17H17NO5S2 MolecularWeight: 379.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)CSCCC(=O)O

InChI

InChI=1S/C17H17NO5S2/c19-16(12-24-11-10-17(20)21)13-6-8-14(9-7-13)18-25(22,23)15-4-2-1-3-5-15/h1-9,18H,10-12H2,(H,20,21)