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

Systemtic Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-N,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 2-(benzylsulfanylmethyl)-3-(4-butoxyphenyl)sulfonyl-2-hydroxy-propanehydroxamic acid CAS Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-N,2-dihydroxy-3-(phenylmethylthio)propanamide IUPAC Name: 2-(benzylsulfanylmethyl)-3-(4-butoxyphenyl)sulfonyl-N,2-dihydroxypropanamide Traditional Name: 2-[(benzylthio)methyl]-3-(4-butoxyphenyl)sulfonyl-2-hydroxy-propanehydroxamic acid Formula: C21H27NO6S2 MolecularWeight: 453.57218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(CSCC2=CC=CC=C2)(C(=O)NO)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(CSCC2=CC=CC=C2)(C(=O)NO)O

InChI

InChI=1S/C21H27NO6S2/c1-2-3-13-28-18-9-11-19(12-10-18)30(26,27)16-21(24,20(23)22-25)15-29-14-17-7-5-4-6-8-17/h4-12,24-25H,2-3,13-16H2,1H3,(H,22,23)