4-chloranyl-N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]benzamide Openeye Name: 4-chloro-N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]benzamide CAS Name: 4-chloro-N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]benzamide IUPAC Name: 4-chloro-N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]benzamide Traditional Name: 4-chloro-N-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]benzamide Formula: C22H17ClN2O5S MolecularWeight: 456.89878

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O5S/c23-17-7-5-14(6-8-17)22(26)24-19-3-1-2-4-20(19)31-12-16-10-18(25(27)28)9-15-11-29-13-30-21(15)16/h1-10H,11-13H2,(H,24,26)