sodium 2-[[4-[(4-chlorophenyl)carbonylamino]phenyl]sulfonylmethyl]-2-oxidanyl-3-pyridin-2-ylsulfanyl-propanoate

Systemtic Name: sodium 2-[[4-[(4-chlorophenyl)carbonylamino]phenyl]sulfonylmethyl]-2-oxidanyl-3-pyridin-2-ylsulfanyl-propanoate Openeye Name: sodium 2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylmethyl]-2-hydroxy-3-(2-pyridylsulfanyl)propanoate CAS Name: sodium 2-[[4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]sulfonylmethyl]-2-hydroxy-3-(2-pyridinylthio)propanoate IUPAC Name: sodium 2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylmethyl]-2-hydroxy-3-pyridin-2-ylsulfanylpropanoate Traditional Name: sodium 2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylmethyl]-2-hydroxy-3-(2-pyridylthio)propionate Formula: C22H18ClN2NaO6S2 MolecularWeight: 528.96089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)(C(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC=NC(=C1)SCC(CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)(C(=O)[O-])O.[Na+]

InChI

InChI=1S/C22H19ClN2O6S2.Na/c23-16-6-4-15(5-7-16)20(26)25-17-8-10-18(11-9-17)33(30,31)14-22(29,21(27)28)13-32-19-3-1-2-12-24-19;/h1-12,29H,13-14H2,(H,25,26)(H,27,28);/q;+1/p-1