2-oxidanyl-2-(phenylsulfanylmethyl)-3-[4-(pyridin-4-ylcarbonylamino)phenyl]sulfonyl-propanoic acid

Systemtic Name: 2-oxidanyl-2-(phenylsulfanylmethyl)-3-[4-(pyridin-4-ylcarbonylamino)phenyl]sulfonyl-propanoic acid Openeye Name: 2-hydroxy-2-(phenylsulfanylmethyl)-3-[4-(pyridine-4-carbonylamino)phenyl]sulfonyl-propanoic acid CAS Name: 2-hydroxy-2-[[4-[[oxo(pyridin-4-yl)methyl]amino]phenyl]sulfonylmethyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-hydroxy-2-(phenylsulfanylmethyl)-3-[4-(pyridine-4-carbonylamino)phenyl]sulfonylpropanoic acid Traditional Name: 2-hydroxy-2-[(4-isonicotinamidophenyl)sulfonylmethyl]-3-(phenylthio)propionic acid Formula: C22H20N2O6S2 MolecularWeight: 472.534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6S2/c25-20(16-10-12-23-13-11-16)24-17-6-8-19(9-7-17)32(29,30)15-22(28,21(26)27)14-31-18-4-2-1-3-5-18/h1-13,28H,14-15H2,(H,24,25)(H,26,27)