3-[[(2S)-1-(oxidanylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(2S)-1-(oxidanylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(1S)-1-benzyl-2-(hydroxyamino)-2-oxo-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(1S)-1-benzyl-2-(hydroxyamino)-2-keto-ethyl]amino]propane-1-sulfonic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NO)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NO)NCCCS(=O)(=O)O

InChI

InChI=1S/C12H18N2O5S/c15-12(14-16)11(9-10-5-2-1-3-6-10)13-7-4-8-20(17,18)19/h1-3,5-6,11,13,16H,4,7-9H2,(H,14,15)(H,17,18,19)/t11-/m0/s1