N-(4-methyl-3-sulfamoyl-phenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-sulfamoyl-phenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-methyl-3-sulfamoyl-phenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(4-methyl-3-sulfamoylphenyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(4-methyl-3-sulfamoylphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(4-methyl-3-sulfamoyl-phenyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C16H14F3N3O5S2 MolecularWeight: 449.42467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C16H14F3N3O5S2/c1-9-2-4-11(7-14(9)29(20,26)27)21-15(23)8-28-13-5-3-10(16(17,18)19)6-12(13)22(24)25/h2-7H,8H2,1H3,(H,21,23)(H2,20,26,27)