ethyl (2S,3S)-3-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]-2-oxidanyl-butanoate

Systemtic Name: ethyl (2S,3S)-3-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]-2-oxidanyl-butanoate Openeye Name: ethyl (2S,3S)-3-[benzyl-(2-nitrophenyl)sulfonyl-amino]-2-hydroxy-butanoate CAS Name: (2S,3S)-2-hydroxy-3-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-[benzyl-(2-nitrophenyl)sulfonylamino]-2-hydroxybutanoate Traditional Name: (2S,3S)-3-[benzyl-(2-nitrophenyl)sulfonyl-amino]-2-hydroxy-butyric acid ethyl ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7S/c1-3-28-19(23)18(22)14(2)20(13-15-9-5-4-6-10-15)29(26,27)17-12-8-7-11-16(17)21(24)25/h4-12,14,18,22H,3,13H2,1-2H3/t14-,18-/m0/s1