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

Systemtic Name: N-methyl-4-[(2-methylphenyl)methylsulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-(o-tolylmethylsulfanyl)benzenesulfonamide CAS Name: N-methyl-4-[(2-methylphenyl)methylthio]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[(2-methylphenyl)methylsulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[(2-methylbenzyl)thio]-3-nitro-benzenesulfonamide Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

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