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

Systemtic Name: (2S)-3-methyl-2-[(4-nitrophenyl)sulfanyl-(phenylmethyl)amino]-N-oxidanyl-butanamide Openeye Name: (2S)-2-[benzyl-(4-nitrophenyl)sulfanyl-amino]-3-methyl-butanehydroxamic acid CAS Name: (2S)-N-hydroxy-3-methyl-2-[[(4-nitrophenyl)thio]-(phenylmethyl)amino]butanamide IUPAC Name: (2S)-2-[benzyl-(4-nitrophenyl)sulfanylamino]-N-hydroxy-3-methylbutanamide Traditional Name: (2S)-2-[benzyl-[(4-nitrophenyl)thio]amino]-3-methyl-butanehydroxamic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-13(2)17(18(22)19-23)20(12-14-6-4-3-5-7-14)26-16-10-8-15(9-11-16)21(24)25/h3-11,13,17,23H,12H2,1-2H3,(H,19,22)/t17-/m0/s1