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

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]benzoic acid Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H16N2O4S2/c24-21(25)15-4-3-5-17(13-15)29(26,27)23-16-10-8-14(9-11-16)12-20-22-18-6-1-2-7-19(18)28-20/h1-11,13,23H,12H2,(H,24,25)