N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide Openeye Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide CAS Name: N-[2-[(3,4-dichlorophenyl)methylthio]ethyl]-1-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[2-[(3,4-dichlorobenzyl)thio]ethyl]-1-(3-nitrophenyl)methanesulfonamide Formula: C16H16Cl2N2O4S2 MolecularWeight: 435.34524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)NCCSCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)NCCSCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H16Cl2N2O4S2/c17-15-5-4-12(9-16(15)18)10-25-7-6-19-26(23,24)11-13-2-1-3-14(8-13)20(21)22/h1-5,8-9,19H,6-7,10-11H2