2-[[2-[(4-nitrophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[2-[(4-nitrophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[2-[(4-nitrophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[2-(mercaptomethyl)-3-(4-nitrophenyl)-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-[(4-nitrophenyl)methyl]-3-sulfanylpropanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(mercaptomethyl)-3-(4-nitrophenyl)propanoyl]amino]ethanesulfonic acid Formula: C12H16N2O6S2 MolecularWeight: 348.39524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS)C(=O)NCCS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(CS)C(=O)NCCS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6S2/c15-12(13-5-6-22(18,19)20)10(8-21)7-9-1-3-11(4-2-9)14(16)17/h1-4,10,21H,5-8H2,(H,13,15)(H,18,19,20)