[(1S)-1-(4-methylsulfonylphenyl)-1,3-bis(oxidanyl)propan-2-yl]azanium sulfate

Systemtic Name: [(1S)-1-(4-methylsulfonylphenyl)-1,3-bis(oxidanyl)propan-2-yl]azanium sulfate Openeye Name: [(2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfonylphenyl)ethyl]ammonium sulfate CAS Name: [(1S)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]ammonium sulfate IUPAC Name: [(1S)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]azanium sulfate Traditional Name: [(2S)-2-hydroxy-2-(4-mesylphenyl)-1-methylol-ethyl]ammonium sulfate Formula: C20H32N2O12S3 MolecularWeight: 588.66928

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)[NH3+])O.CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)[NH3+])O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@@H](C(CO)[NH3+])O.CS(=O)(=O)C1=CC=C(C=C1)[C@@H](C(CO)[NH3+])O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H15NO4S.H2O4S/c2*1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12;1-5(2,3)4/h2*2-5,9-10,12-13H,6,11H2,1H3;(H2,1,2,3,4)/t2*9?,10-;/m00./s1