(3R,4R)-4-methyl-3-[methyl-(4-nitrophenyl)sulfonyl-amino]hexanoic acid

Systemtic Name: (3R,4R)-4-methyl-3-[methyl-(4-nitrophenyl)sulfonyl-amino]hexanoic acid Openeye Name: (3R,4R)-4-methyl-3-[methyl-(4-nitrophenyl)sulfonyl-amino]hexanoic acid CAS Name: (3R,4R)-4-methyl-3-[methyl-(4-nitrophenyl)sulfonylamino]hexanoic acid IUPAC Name: (3R,4R)-4-methyl-3-[methyl-(4-nitrophenyl)sulfonylamino]hexanoic acid Traditional Name: (3R,4R)-4-methyl-3-[methyl(nosyl)amino]hexanoic acid Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O6S/c1-4-10(2)13(9-14(17)18)15(3)23(21,22)12-7-5-11(6-8-12)16(19)20/h5-8,10,13H,4,9H2,1-3H3,(H,17,18)/t10-,13-/m1/s1