(2-sulfamoyl-1,3-benzothiazol-6-yl) quinoline-8-sulfonate

Systemtic Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) quinoline-8-sulfonate Openeye Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester Formula: C16H11N3O5S3 MolecularWeight: 421.47064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)OC3=CC4=C(C=C3)N=C(S4)S(=O)(=O)N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)OC3=CC4=C(C=C3)N=C(S4)S(=O)(=O)N)N=CC=C2

InChI

InChI=1S/C16H11N3O5S3/c17-26(20,21)16-19-12-7-6-11(9-13(12)25-16)24-27(22,23)14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,(H2,17,20,21)