3-[[4-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid Formula: C20H14N2O4S2 MolecularWeight: 410.46616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H14N2O4S2/c23-20(24)14-4-3-5-16(12-14)28(25,26)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)27-19/h1-12,22H,(H,23,24)