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

Systemtic Name: 2-[[4-(2-phenylsulfanylpropanoylamino)phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(2-phenylsulfanylpropanoylamino)phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[1-oxo-2-(phenylthio)propyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(2-phenylsulfanylpropanoylamino)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[2-(phenylthio)propanoylamino]phenyl]sulfonylamino]acetic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S2/c1-12(25-14-5-3-2-4-6-14)17(22)19-13-7-9-15(10-8-13)26(23,24)18-11-16(20)21/h2-10,12,18H,11H2,1H3,(H,19,22)(H,20,21)