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

Systemtic Name: cesium (2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate Openeye Name: cesium (2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate CAS Name: cesium (2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate IUPAC Name: cesium (2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate Traditional Name: cesium (2S)-4-methyl-2-(nosylamino)valerate Formula: C12H15CsN2O6S MolecularWeight: 448.22775

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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-].[Cs+]

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S.Cs/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);/q;+1/p-1/t11-;/m0./s1