(2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate CAS Name: (2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate IUPAC Name: (2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate Traditional Name: (2S)-4-methyl-2-(nosylamino)valerate Formula: C12H15N2O6S- MolecularWeight: 315.3223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-8(2)7-11(12(15)16)13-21(19,20)10-5-3-9(4-6-10)14(17)18/h3-6,8,11,13H,7H2,1-2H3,(H,15,16)/p-1/t11-/m0/s1