2-[[4-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(2-benzylsulfanylacetyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(2-benzylsulfanylacetyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[2-(benzylthio)acetyl]amino]phenyl]sulfonylamino]acetic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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