1-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanesulfonic acid

Systemtic Name: 1-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanesulfonic acid Openeye Name: 1-[[2-(benzyloxycarbonylamino)acetyl]amino]ethanesulfonic acid CAS Name: 1-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethanesulfonic acid IUPAC Name: 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]ethanesulfonic acid Traditional Name: 1-[[2-(benzyloxycarbonylamino)acetyl]amino]ethanesulfonic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)CNC(=O)OCC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CC(NC(=O)CNC(=O)OCC1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C12H16N2O6S/c1-9(21(17,18)19)14-11(15)7-13-12(16)20-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)(H,17,18,19)