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

Systemtic Name: 4-methyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-[2-(o-tolylmethylsulfanyl)ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[(2-methylphenyl)methylthio]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[2-[(2-methylbenzyl)thio]ethyl]-3-nitro-benzenesulfonamide Formula: C17H20N2O4S2 MolecularWeight: 380.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S2/c1-13-5-3-4-6-15(13)12-24-10-9-18-25(22,23)16-8-7-14(2)17(11-16)19(20)21/h3-8,11,18H,9-10,12H2,1-2H3