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

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)-2-cyano-ethanoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)-2-cyano-acetyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-oxoethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)-2-cyanoacetyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-2-cyano-acetyl]-N,N-diethyl-benzenesulfonamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19N3O3S2/c1-3-23(4-2)28(25,26)15-11-9-14(10-12-15)19(24)16(13-21)20-22-17-7-5-6-8-18(17)27-20/h5-12,16H,3-4H2,1-2H3