2-(2-fluorophenyl)sulfanyl-N-(2-methyl-5-methylsulfonyl-phenyl)-5-nitro-benzamide

Systemtic Name: 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-5-methylsulfonyl-phenyl)-5-nitro-benzamide Openeye Name: 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-5-methylsulfonyl-phenyl)-5-nitro-benzamide CAS Name: 2-[(2-fluorophenyl)thio]-N-(2-methyl-5-methylsulfonylphenyl)-5-nitrobenzamide IUPAC Name: 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-5-methylsulfonylphenyl)-5-nitrobenzamide Traditional Name: 2-[(2-fluorophenyl)thio]-N-(5-mesyl-2-methyl-phenyl)-5-nitro-benzamide Formula: C21H17FN2O5S2 MolecularWeight: 460.498483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

InChI

InChI=1S/C21H17FN2O5S2/c1-13-7-9-15(31(2,28)29)12-18(13)23-21(25)16-11-14(24(26)27)8-10-19(16)30-20-6-4-3-5-17(20)22/h3-12H,1-2H3,(H,23,25)