4-(3,4-dimethylphenyl)sulfanyl-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(3,4-dimethylphenyl)sulfanyl-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-(3,4-dimethylphenyl)sulfanyl-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(3,4-dimethylphenyl)thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfanyl-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(3,4-dimethylphenyl)thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-])C

InChI

InChI=1S/C15H16N2O4S2/c1-10-4-5-12(8-11(10)2)22-15-7-6-13(23(20,21)16-3)9-14(15)17(18)19/h4-9,16H,1-3H3