4-[5-nitro-2-(phenylmethylsulfanyl)phenyl]sulfonylmorpholine

Systemtic Name: 4-[5-nitro-2-(phenylmethylsulfanyl)phenyl]sulfonylmorpholine Openeye Name: 4-(2-benzylsulfanyl-5-nitro-phenyl)sulfonylmorpholine CAS Name: 4-[5-nitro-2-(phenylmethylthio)phenyl]sulfonylmorpholine IUPAC Name: 4-(2-benzylsulfanyl-5-nitrophenyl)sulfonylmorpholine Traditional Name: 4-[2-(benzylthio)-5-nitro-phenyl]sulfonylmorpholine Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O5S2/c20-19(21)15-6-7-16(25-13-14-4-2-1-3-5-14)17(12-15)26(22,23)18-8-10-24-11-9-18/h1-7,12H,8-11,13H2