(2S,3S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]valerate Formula: C12H15N2O6S- MolecularWeight: 315.3223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-3-8(2)11(12(15)16)13-21(19,20)10-6-4-5-9(7-10)14(17)18/h4-8,11,13H,3H2,1-2H3,(H,15,16)/p-1/t8-,11-/m0/s1