2-[[4-(4-phenylsulfanylbutanoylamino)phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-(4-phenylsulfanylbutanoylamino)phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(4-phenylsulfanylbutanoylamino)phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[1-oxo-4-(phenylthio)butyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(4-phenylsulfanylbutanoylamino)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[4-(phenylthio)butanoylamino]phenyl]sulfonylamino]acetic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C18H20N2O5S2/c21-17(7-4-12-26-15-5-2-1-3-6-15)20-14-8-10-16(11-9-14)27(24,25)19-13-18(22)23/h1-3,5-6,8-11,19H,4,7,12-13H2,(H,20,21)(H,22,23)