4-chloranyl-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid Formula: C16H13ClN2O5S2 MolecularWeight: 412.86782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C16H13ClN2O5S2/c1-2-24-10-4-6-12-13(8-10)25-16(18-12)19-26(22,23)14-7-9(15(20)21)3-5-11(14)17/h3-8H,2H2,1H3,(H,18,19)(H,20,21)