ethyl (2S,3R,4R)-4-nitro-3-phenyl-2-(phenylsulfonyl)pentanoate

Systemtic Name: ethyl (2S,3R,4R)-4-nitro-3-phenyl-2-(phenylsulfonyl)pentanoate Openeye Name: ethyl (2S,3R,4R)-2-(benzenesulfonyl)-4-nitro-3-phenyl-pentanoate CAS Name: (2S,3R,4R)-2-(benzenesulfonyl)-4-nitro-3-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (2S,3R,4R)-2-(benzenesulfonyl)-4-nitro-3-phenylpentanoate Traditional Name: (2S,3R,4R)-2-besyl-4-nitro-3-phenyl-valeric acid ethyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6S/c1-3-26-19(21)18(27(24,25)16-12-8-5-9-13-16)17(14(2)20(22)23)15-10-6-4-7-11-15/h4-14,17-18H,3H2,1-2H3/t14-,17+,18+/m1/s1