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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

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