2-bromanyl-5-[3-[ethyl(phenyl)amino]propylsulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[3-[ethyl(phenyl)amino]propylsulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[3-(N-ethylanilino)propylsulfamoyl]benzoic acid CAS Name: 2-bromo-5-[3-(N-ethylanilino)propylsulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[3-(N-ethylanilino)propylsulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[3-(N-ethylanilino)propylsulfamoyl]benzoic acid Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCN(CCCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C18H21BrN2O4S/c1-2-21(14-7-4-3-5-8-14)12-6-11-20-26(24,25)15-9-10-17(19)16(13-15)18(22)23/h3-5,7-10,13,20H,2,6,11-12H2,1H3,(H,22,23)