3-[[4-(dimethylsulfamoyl)-5-methyl-2-nitro-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-(dimethylsulfamoyl)-5-methyl-2-nitro-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-(dimethylsulfamoyl)-5-methyl-2-nitro-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-(dimethylsulfamoyl)-5-methyl-2-nitrophenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-(dimethylsulfamoyl)-5-methyl-2-nitrophenoxy]methyl]benzoic acid Traditional Name: 3-[[4-(dimethylsulfamoyl)-5-methyl-2-nitro-phenoxy]methyl]benzoic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N(C)C)[N+](=O)[O-])OCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N(C)C)[N+](=O)[O-])OCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H18N2O7S/c1-11-7-15(26-10-12-5-4-6-13(8-12)17(20)21)14(19(22)23)9-16(11)27(24,25)18(2)3/h4-9H,10H2,1-3H3,(H,20,21)