2-(2-fluorophenyl)sulfanyl-N-(4-methyl-3-sulfamoyl-phenyl)-5-nitro-benzamide

Systemtic Name: 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-3-sulfamoyl-phenyl)-5-nitro-benzamide Openeye Name: 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-3-sulfamoyl-phenyl)-5-nitro-benzamide CAS Name: 2-[(2-fluorophenyl)thio]-N-(4-methyl-3-sulfamoylphenyl)-5-nitrobenzamide IUPAC Name: 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)-5-nitrobenzamide Traditional Name: 2-[(2-fluorophenyl)thio]-N-(4-methyl-3-sulfamoyl-phenyl)-5-nitro-benzamide Formula: C20H16FN3O5S2 MolecularWeight: 461.486543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O5S2/c1-12-6-7-13(10-19(12)31(22,28)29)23-20(25)15-11-14(24(26)27)8-9-17(15)30-18-5-3-2-4-16(18)21/h2-11H,1H3,(H,23,25)(H2,22,28,29)