2-[(4-butoxyphenyl)sulfonylmethyl]-N,2-bis(oxidanyl)-4-pyridin-2-ylsulfanyl-pentanamide

Systemtic Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-N,2-bis(oxidanyl)-4-pyridin-2-ylsulfanyl-pentanamide Openeye Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-hydroxy-4-(2-pyridylsulfanyl)pentanehydroxamic acid CAS Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-N,2-dihydroxy-4-(2-pyridinylthio)pentanamide IUPAC Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-N,2-dihydroxy-4-pyridin-2-ylsulfanylpentanamide Traditional Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-hydroxy-4-(2-pyridylthio)pentanehydroxamic acid Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(CC(C)SC2=CC=CC=N2)(C(=O)NO)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(CC(C)SC2=CC=CC=N2)(C(=O)NO)O

InChI

InChI=1S/C21H28N2O6S2/c1-3-4-13-29-17-8-10-18(11-9-17)31(27,28)15-21(25,20(24)23-26)14-16(2)30-19-7-5-6-12-22-19/h5-12,16,25-26H,3-4,13-15H2,1-2H3,(H,23,24)