2-oxidanyl-2-(phenylsulfanylmethyl)-3-(4-pyridin-4-ylphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-oxidanyl-2-(phenylsulfanylmethyl)-3-(4-pyridin-4-ylphenyl)sulfonyl-propanoic acid Openeye Name: 2-hydroxy-2-(phenylsulfanylmethyl)-3-[4-(4-pyridyl)phenyl]sulfonyl-propanoic acid CAS Name: 2-hydroxy-2-[(phenylthio)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanoic acid IUPAC Name: 2-hydroxy-2-(phenylsulfanylmethyl)-3-(4-pyridin-4-ylphenyl)sulfonylpropanoic acid Traditional Name: 2-hydroxy-2-[(phenylthio)methyl]-3-[4-(4-pyridyl)phenyl]sulfonyl-propionic acid Formula: C21H19NO5S2 MolecularWeight: 429.50926

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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=NC=C3)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=NC=C3)(C(=O)O)O

InChI

InChI=1S/C21H19NO5S2/c23-20(24)21(25,14-28-18-4-2-1-3-5-18)15-29(26,27)19-8-6-16(7-9-19)17-10-12-22-13-11-17/h1-13,25H,14-15H2,(H,23,24)