5-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[2-(2-hydroxyethylamino)-5-nitrophenyl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[2-(2-hydroxyethylamino)-5-nitrophenyl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-2-methyl-benzoic acid Formula: C16H17N3O7S MolecularWeight: 395.38708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C(=O)O

InChI

InChI=1S/C16H17N3O7S/c1-10-2-4-12(9-13(10)16(21)22)27(25,26)18-15-8-11(19(23)24)3-5-14(15)17-6-7-20/h2-5,8-9,17-18,20H,6-7H2,1H3,(H,21,22)