2-[2-(phenylmethylsulfanyl)ethanoylamino]benzenesulfonate

Systemtic Name: 2-[2-(phenylmethylsulfanyl)ethanoylamino]benzenesulfonate Openeye Name: 2-[(2-benzylsulfanylacetyl)amino]benzenesulfonate CAS Name: 2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzenesulfonate IUPAC Name: 2-[(2-benzylsulfanylacetyl)amino]benzenesulfonate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]besylate Formula: C15H14NO4S2- MolecularWeight: 336.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2S(=O)(=O)[O-]

InChI

InChI=1S/C15H15NO4S2/c17-15(11-21-10-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)22(18,19)20/h1-9H,10-11H2,(H,16,17)(H,18,19,20)/p-1