3-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[2-(2-hydroxyethylamino)-5-nitrophenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[2-(2-hydroxyethylamino)-5-nitrophenyl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O7S/c1-10-7-12(17(22)23)8-16(11(10)2)28(26,27)19-15-9-13(20(24)25)3-4-14(15)18-5-6-21/h3-4,7-9,18-19,21H,5-6H2,1-2H3,(H,22,23)