N-[2-[(2-bromophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(2-bromophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(2-bromophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-[(2-bromophenyl)methylthio]ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2-bromophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(2-bromobenzyl)thio]ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H17BrN2O4S2 MolecularWeight: 445.35118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2Br)[N+](=O)[O-]

InChI

InChI=1S/C16H17BrN2O4S2/c1-12-6-7-14(10-16(12)19(20)21)25(22,23)18-8-9-24-11-13-4-2-3-5-15(13)17/h2-7,10,18H,8-9,11H2,1H3