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

Systemtic Name: 3-[[[3,5-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]sulfamoyl]benzoic acid Openeye Name: 3-[[(3,5-dichlorobenzothiophene-2-carbonyl)amino]sulfamoyl]benzoic acid CAS Name: 3-[[[(3,5-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]sulfamoyl]benzoic acid IUPAC Name: 3-[[(3,5-dichloro-1-benzothiophene-2-carbonyl)amino]sulfamoyl]benzoic acid Traditional Name: 3-[[(3,5-dichlorobenzothiophene-2-carbonyl)amino]sulfamoyl]benzoic acid Formula: C16H10Cl2N2O5S2 MolecularWeight: 445.297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10Cl2N2O5S2/c17-9-4-5-12-11(7-9)13(18)14(26-12)15(21)19-20-27(24,25)10-3-1-2-8(6-10)16(22)23/h1-7,20H,(H,19,21)(H,22,23)