cesium (2R)-2-[(4-nitrophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: cesium (2R)-2-[(4-nitrophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: cesium (2R)-3-benzylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]propanoate CAS Name: cesium (2R)-2-[(4-nitrophenyl)sulfonylamino]-3-(phenylmethylthio)propanoate IUPAC Name: cesium (2R)-3-benzylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]propanoate Traditional Name: cesium (2R)-3-(benzylthio)-2-(nosylamino)propionate Formula: C16H15CsN2O6S2 MolecularWeight: 528.33555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cs+]

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@@H](C(=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cs+]

InChI

InChI=1S/C16H16N2O6S2.Cs/c19-16(20)15(11-25-10-12-4-2-1-3-5-12)17-26(23,24)14-8-6-13(7-9-14)18(21)22;/h1-9,15,17H,10-11H2,(H,19,20);/q;+1/p-1/t15-;/m0./s1