sodium 2-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonate Openeye Name: sodium 2-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonate CAS Name: sodium 2-[[2-(mercaptomethyl)-3-(4-methoxyphenyl)-1-oxopropyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[2-(mercaptomethyl)-3-(4-methoxyphenyl)propanoyl]amino]ethanesulfonate Formula: C13H18NNaO5S2 MolecularWeight: 355.40549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H19NO5S2.Na/c1-19-12-4-2-10(3-5-12)8-11(9-20)13(15)14-6-7-21(16,17)18;/h2-5,11,20H,6-9H2,1H3,(H,14,15)(H,16,17,18);/q;+1/p-1