AC1MIDSQ

N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide

Also Known As: Semioxamazide, 5-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)-1-(p-tolylsulfonyl)-, L-(+)-threo-|N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide|2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-undecyl-,compd. with 2-methyl-1-propanamine(1:2)|N-[(1S,2S)-1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-[2-(4-methylbenzene-1-sulfonyl)hydrazin-1-yl]-2-oxoacetamide|N-[(1S,2S)-1,3-DIHYDROXY-1-(4-NITROPHENYL)PROPAN-2-YL]-2-[2-(4-METHYLPHENYL)SULFONYLHYDRAZINYL]-2-OXO-ACETAMIDE

Molecular Formula	C18H20N4O8S
Molecular Weight	452.1002 g/mol
LogP	-0.57658
Topological Polar Surface Area	187.97 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	452.1002
Monoisotopic Mass	452.1002
Heavy Atoms	31
Complexity	1054.9723

Chemical Identifiers

CAS Number	60199-34-0
SMILES	CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)N[C@@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O