N-[4-[2-(1,3-benzothiazol-2-yl)-2-cyano-ethanoyl]phenyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-yl)-2-cyano-ethanoyl]phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-yl)-2-cyano-acetyl]phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[4-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-oxoethyl]phenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-yl)-2-cyanoacetyl]phenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[4-[2-(1,3-benzothiazol-2-yl)-2-cyano-acetyl]phenyl]-4-fluoro-benzenesulfonamide Formula: C22H14FN3O3S2 MolecularWeight: 451.493263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14FN3O3S2/c23-15-7-11-17(12-8-15)31(28,29)26-16-9-5-14(6-10-16)21(27)18(13-24)22-25-19-3-1-2-4-20(19)30-22/h1-12,18,26H