N-[3,5-dimethyl-4-(nitromethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfanyl)phenyl]benzenesulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylthio)phenyl]benzenesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylthio)phenyl]benzenesulfonamide Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC[N+](=O)[O-])C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1SC[N+](=O)[O-])C)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O4S2/c1-11-8-13(9-12(2)15(11)22-10-17(18)19)16-23(20,21)14-6-4-3-5-7-14/h3-9,16H,10H2,1-2H3