4-(2,5-dimethylphenyl)sulfanyl-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfanyl-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-(2,5-dimethylphenyl)sulfanyl-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(2,5-dimethylphenyl)thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfanyl-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(2,5-dimethylphenyl)thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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