3-[[[3,5-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]sulfamoyl]-4-bromanyl-benzoic acid

Systemtic Name: 3-[[[3,5-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]sulfamoyl]-4-bromanyl-benzoic acid Openeye Name: 4-bromo-3-[[(3,5-dichlorobenzothiophene-2-carbonyl)amino]sulfamoyl]benzoic acid CAS Name: 4-bromo-3-[[[(3,5-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]sulfamoyl]benzoic acid IUPAC Name: 4-bromo-3-[[(3,5-dichloro-1-benzothiophene-2-carbonyl)amino]sulfamoyl]benzoic acid Traditional Name: 4-bromo-3-[[(3,5-dichlorobenzothiophene-2-carbonyl)amino]sulfamoyl]benzoic acid Formula: C16H9BrCl2N2O5S2 MolecularWeight: 524.19306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NNC(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)Cl)Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NNC(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)Cl)Br

InChI

InChI=1S/C16H9BrCl2N2O5S2/c17-10-3-1-7(16(23)24)5-12(10)28(25,26)21-20-15(22)14-13(19)9-6-8(18)2-4-11(9)27-14/h1-6,21H,(H,20,22)(H,23,24)