5-bromanyl-2-[[4-[phenyl(propyl)sulfamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-[phenyl(propyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-[phenyl(propyl)sulfamoyl]benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[oxo-[4-[phenyl(propyl)sulfamoyl]phenyl]methyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-[phenyl(propyl)sulfamoyl]benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-[phenyl(propyl)sulfamoyl]benzoyl]amino]benzoic acid Formula: C23H21BrN2O5S MolecularWeight: 517.39224

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C23H21BrN2O5S/c1-2-14-26(18-6-4-3-5-7-18)32(30,31)19-11-8-16(9-12-19)22(27)25-21-13-10-17(24)15-20(21)23(28)29/h3-13,15H,2,14H2,1H3,(H,25,27)(H,28,29)