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

Systemtic Name: 3-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]sulfamoyl]benzoic acid Openeye Name: 3-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]sulfamoyl]benzoic acid CAS Name: 3-[[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]sulfamoyl]benzoic acid IUPAC Name: 3-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]sulfamoyl]benzoic acid Traditional Name: 3-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]sulfamoyl]benzoic acid Formula: C22H17N3O5S3 MolecularWeight: 499.58248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NNS(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NNS(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H17N3O5S3/c26-20(24-25-33(29,30)17-5-3-4-16(12-17)21(27)28)15-10-8-14(9-11-15)13-31-22-23-18-6-1-2-7-19(18)32-22/h1-12,25H,13H2,(H,24,26)(H,27,28)