N-(2-methyl-5-nitro-phenyl)-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-4-methylsulfanyl-benzenesulfonamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-(methylthio)benzenesulfonamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-4-(methylthio)benzenesulfonamide Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4S2/c1-10-3-4-11(16(17)18)9-14(10)15-22(19,20)13-7-5-12(21-2)6-8-13/h3-9,15H,1-2H3