(2S)-2-[(2,4-dinitrophenyl)sulfanyl-(phenylmethyl)amino]-3-methyl-N-oxidanyl-butanamide

Systemtic Name: (2S)-2-[(2,4-dinitrophenyl)sulfanyl-(phenylmethyl)amino]-3-methyl-N-oxidanyl-butanamide Openeye Name: (2S)-2-[benzyl-(2,4-dinitrophenyl)sulfanyl-amino]-3-methyl-butanehydroxamic acid CAS Name: (2S)-2-[[(2,4-dinitrophenyl)thio]-(phenylmethyl)amino]-N-hydroxy-3-methylbutanamide IUPAC Name: (2S)-2-[benzyl-(2,4-dinitrophenyl)sulfanylamino]-N-hydroxy-3-methylbutanamide Traditional Name: (2S)-2-[benzyl-[(2,4-dinitrophenyl)thio]amino]-3-methyl-butanehydroxamic acid Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NO)N(CC1=CC=CC=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)NO)N(CC1=CC=CC=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-12(2)17(18(23)19-24)20(11-13-6-4-3-5-7-13)29-16-9-8-14(21(25)26)10-15(16)22(27)28/h3-10,12,17,24H,11H2,1-2H3,(H,19,23)/t17-/m0/s1