2-[(4-butoxyphenyl)sulfonylmethyl]-N,2-bis(oxidanyl)-3-phenylsulfanyl-propanamide

Systemtic Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-N,2-bis(oxidanyl)-3-phenylsulfanyl-propanamide Openeye Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-hydroxy-3-phenylsulfanyl-propanehydroxamic acid CAS Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-N,2-dihydroxy-3-(phenylthio)propanamide IUPAC Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-N,2-dihydroxy-3-phenylsulfanylpropanamide Traditional Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-hydroxy-3-(phenylthio)propanehydroxamic acid Formula: C20H25NO6S2 MolecularWeight: 439.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(CSC2=CC=CC=C2)(C(=O)NO)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(CSC2=CC=CC=C2)(C(=O)NO)O

InChI

InChI=1S/C20H25NO6S2/c1-2-3-13-27-16-9-11-18(12-10-16)29(25,26)15-20(23,19(22)21-24)14-28-17-7-5-4-6-8-17/h4-12,23-24H,2-3,13-15H2,1H3,(H,21,22)