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

Systemtic Name: sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-phenylsulfanyl-propanoate Openeye Name: sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-phenylsulfanyl-propanoate CAS Name: sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-(phenylthio)propanoate IUPAC Name: sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-phenylsulfanylpropanoate Traditional Name: sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-(phenylthio)propionate Formula: C23H20ClNaO4S2 MolecularWeight: 482.97527

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C[C@@](CSC1=CC=CC=C1)(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H21ClO4S2.Na/c1-23(22(25)26,15-29-20-5-3-2-4-6-20)16-30(27,28)21-13-9-18(10-14-21)17-7-11-19(24)12-8-17;/h2-14H,15-16H2,1H3,(H,25,26);/q;+1/p-1/t23-;/m1./s1