4-[2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-[(4-chlorophenyl)methylthio]-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-[(4-chlorophenyl)methylsulfanyl]-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[2-[(4-chlorobenzyl)thio]-5-nitro-phenyl]sulfonylmorpholine Formula: C17H17ClN2O5S2 MolecularWeight: 428.91028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O5S2/c18-14-3-1-13(2-4-14)12-26-16-6-5-15(20(21)22)11-17(16)27(23,24)19-7-9-25-10-8-19/h1-6,11H,7-10,12H2