(2S,3S)-3-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]-2-oxidanyl-butanoic acid

Systemtic Name: (2S,3S)-3-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]-2-oxidanyl-butanoic acid Openeye Name: (2S,3S)-3-[benzyl-(2-nitrophenyl)sulfonyl-amino]-2-hydroxy-butanoic acid CAS Name: (2S,3S)-2-hydroxy-3-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoic acid IUPAC Name: (2S,3S)-3-[benzyl-(2-nitrophenyl)sulfonylamino]-2-hydroxybutanoic acid Traditional Name: (2S,3S)-3-[benzyl-(2-nitrophenyl)sulfonyl-amino]-2-hydroxy-butyric acid Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@@H]([C@@H](C(=O)O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7S/c1-12(16(20)17(21)22)18(11-13-7-3-2-4-8-13)27(25,26)15-10-6-5-9-14(15)19(23)24/h2-10,12,16,20H,11H2,1H3,(H,21,22)/t12-,16-/m0/s1