8-oxidanyl-6-[[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]carbamoylamino]naphthalene-2-sulfonic acid

Systemtic Name: 8-oxidanyl-6-[[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Openeye Name: 8-hydroxy-6-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]naphthalene-2-sulfonic acid CAS Name: 8-hydroxy-6-[[oxo-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]methyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 8-hydroxy-6-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Traditional Name: 8-hydroxy-6-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Formula: C19H12F3N3O6S2 MolecularWeight: 499.44029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)NC(=O)NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)NC(=O)NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F)O)S(=O)(=O)O

InChI

InChI=1S/C19H12F3N3O6S2/c20-19(21,22)31-11-2-4-14-16(7-11)32-18(24-14)25-17(27)23-10-5-9-1-3-12(33(28,29)30)8-13(9)15(26)6-10/h1-8,26H,(H,28,29,30)(H2,23,24,25,27)