methyl (2R,3S)-2-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[(4-fluoro-3-nitro-phenyl)sulfonylamino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(4-fluoro-3-nitro-phenyl)sulfonylamino]-3-methyl-valeric acid methyl ester Formula: C13H17FN2O6S MolecularWeight: 348.347283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C13H17FN2O6S/c1-4-8(2)12(13(17)22-3)15-23(20,21)9-5-6-10(14)11(7-9)16(18)19/h5-8,12,15H,4H2,1-3H3/t8-,12+/m0/s1