sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-oxidanyl-3-phenylsulfanyl-propanoate

Systemtic Name: sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-oxidanyl-3-phenylsulfanyl-propanoate Openeye Name: sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-phenylsulfanyl-propanoate CAS Name: sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-(phenylthio)propanoate IUPAC Name: sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-phenylsulfanylpropanoate Traditional Name: sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-(phenylthio)propionate Formula: C22H18ClNaO5S2 MolecularWeight: 484.94809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClO5S2.Na/c23-18-10-6-16(7-11-18)17-8-12-20(13-9-17)30(27,28)15-22(26,21(24)25)14-29-19-4-2-1-3-5-19;/h1-13,26H,14-15H2,(H,24,25);/q;+1/p-1/t22-;/m1./s1