3-[[[4-[(4-chloranyl-3-methyl-phenoxy)methyl]phenyl]carbonylamino]sulfamoyl]benzoic acid

Systemtic Name: 3-[[[4-[(4-chloranyl-3-methyl-phenoxy)methyl]phenyl]carbonylamino]sulfamoyl]benzoic acid Openeye Name: 3-[[[4-[(4-chloro-3-methyl-phenoxy)methyl]benzoyl]amino]sulfamoyl]benzoic acid CAS Name: 3-[[[[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-oxomethyl]amino]sulfamoyl]benzoic acid IUPAC Name: 3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]sulfamoyl]benzoic acid Traditional Name: 3-[[[4-[(4-chloro-3-methyl-phenoxy)methyl]benzoyl]amino]sulfamoyl]benzoic acid Formula: C22H19ClN2O6S MolecularWeight: 474.91406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C22H19ClN2O6S/c1-14-11-18(9-10-20(14)23)31-13-15-5-7-16(8-6-15)21(26)24-25-32(29,30)19-4-2-3-17(12-19)22(27)28/h2-12,25H,13H2,1H3,(H,24,26)(H,27,28)