3-[4-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]phenyl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C17H19N3O7S/c21-10-9-18-15-7-4-13(20(24)25)11-16(15)19-28(26,27)14-5-1-12(2-6-14)3-8-17(22)23/h1-2,4-7,11,18-19,21H,3,8-10H2,(H,22,23)