2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-(p-tolylsulfanyl)ethyl]benzenesulfonamide CAS Name: 2-methyl-N-[2-[(4-methylphenyl)thio]ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[2-(p-tolylthio)ethyl]benzenesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S2/c1-12-3-7-15(8-4-12)23-10-9-17-24(21,22)16-11-14(18(19)20)6-5-13(16)2/h3-8,11,17H,9-10H2,1-2H3