4-[4-(naphthalen-1-ylmethylsulfanyl)-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-(naphthalen-1-ylmethylsulfanyl)-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(1-naphthylmethylsulfanyl)-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-(1-naphthalenylmethylthio)-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(naphthalen-1-ylmethylsulfanyl)-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-(1-naphthylmethylthio)-3-nitro-phenyl]sulfonylmorpholine Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5S2/c24-23(25)20-14-18(30(26,27)22-10-12-28-13-11-22)8-9-21(20)29-15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14H,10-13,15H2