N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-benzenesulfonamide Formula: C14H9F2N3O5S2 MolecularWeight: 401.365166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=C(C=C(C=C3S2)F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=C(C=C(C=C3S2)F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H9F2N3O5S2/c1-24-11-3-2-8(6-10(11)19(20)21)26(22,23)18-14-17-13-9(16)4-7(15)5-12(13)25-14/h2-6H,1H3,(H,17,18)