N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C14H9F2N3O4S2 MolecularWeight: 385.365766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=NC3=C(C=C(C=C3S2)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=NC3=C(C=C(C=C3S2)F)F

InChI

InChI=1S/C14H9F2N3O4S2/c1-7-2-3-9(19(20)21)6-12(7)25(22,23)18-14-17-13-10(16)4-8(15)5-11(13)24-14/h2-6H,1H3,(H,17,18)