(3S,4S,6S)-6-[(3-nitro-5-phenylsulfanyl-phenyl)amino]oxane-3,4-diol

Systemtic Name: (3S,4S,6S)-6-[(3-nitro-5-phenylsulfanyl-phenyl)amino]oxane-3,4-diol Openeye Name: (3S,4S,6S)-6-(3-nitro-5-phenylsulfanyl-anilino)tetrahydropyran-3,4-diol CAS Name: (3S,4S,6S)-6-[3-nitro-5-(phenylthio)anilino]oxane-3,4-diol IUPAC Name: (3S,4S,6S)-6-(3-nitro-5-phenylsulfanylanilino)oxane-3,4-diol Traditional Name: (3S,4S,6S)-6-[3-nitro-5-(phenylthio)anilino]tetrahydropyran-3,4-diol Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(COC1NC2=CC(=CC(=C2)SC3=CC=CC=C3)[N+](=O)[O-])O)O

Isomeric SMILES

C1[C@@H]([C@H](CO[C@@H]1NC2=CC(=CC(=C2)SC3=CC=CC=C3)[N+](=O)[O-])O)O

InChI

InChI=1S/C17H18N2O5S/c20-15-9-17(24-10-16(15)21)18-11-6-12(19(22)23)8-14(7-11)25-13-4-2-1-3-5-13/h1-8,15-18,20-21H,9-10H2/t15-,16-,17-/m0/s1