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

Systemtic Name: methyl (2S,3R)-3-methyl-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]pentanoate Openeye Name: methyl (2S,3R)-3-methyl-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-methyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]pentanoate Traditional Name: (2S,3R)-3-methyl-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]valeric acid methyl ester Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O6S/c1-5-9(2)13(14(17)22-4)15-23(20,21)11-7-6-10(3)12(8-11)16(18)19/h6-9,13,15H,5H2,1-4H3/t9-,13+/m1/s1