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

Systemtic Name: 3-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]sulfamoyl]benzoate Openeye Name: 3-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]sulfamoyl]benzoate CAS Name: 3-[[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]sulfamoyl]benzoate IUPAC Name: 3-[[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]sulfamoyl]benzoate Traditional Name: 3-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]sulfamoyl]benzoate Formula: C22H16N3O5S3- MolecularWeight: 498.57454

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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)/p-1