3-[4-[2-(phenylsulfonylamino)ethanethioyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(phenylsulfonylamino)ethanethioyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(benzenesulfonamido)ethanethioyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(benzenesulfonamido)-1-sulfanylideneethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(benzenesulfonamido)ethanethioyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(benzenesulfonamido)thioacetyl]phenyl]propionic acid Formula: C17H17NO4S2 MolecularWeight: 363.45118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCC(=S)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCC(=S)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C17H17NO4S2/c19-17(20)11-8-13-6-9-14(10-7-13)16(23)12-18-24(21,22)15-4-2-1-3-5-15/h1-7,9-10,18H,8,11-12H2,(H,19,20)