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

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)-2-cyano-ethanoyl]-N-ethyl-N-phenyl-benzenesulfonamide Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)-2-cyano-acetyl]-N-ethyl-N-phenyl-benzenesulfonamide CAS Name: 4-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-oxoethyl]-N-ethyl-N-phenylbenzenesulfonamide IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)-2-cyanoacetyl]-N-ethyl-N-phenylbenzenesulfonamide Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-2-cyano-acetyl]-N-ethyl-N-phenyl-benzenesulfonamide Formula: C24H19N3O3S2 MolecularWeight: 461.55596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H19N3O3S2/c1-2-27(18-8-4-3-5-9-18)32(29,30)19-14-12-17(13-15-19)23(28)20(16-25)24-26-21-10-6-7-11-22(21)31-24/h3-15,20H,2H2,1H3