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

Systemtic Name: 3-[2-(1,3-benzothiazol-2-yl)-2-cyano-ethanoyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[2-(1,3-benzothiazol-2-yl)-2-cyano-acetyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-oxoethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[2-(1,3-benzothiazol-2-yl)-2-cyanoacetyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[2-(1,3-benzothiazol-2-yl)-2-cyano-acetyl]-N,N-dimethyl-benzenesulfonamide Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S2/c1-21(2)26(23,24)13-7-5-6-12(10-13)17(22)14(11-19)18-20-15-8-3-4-9-16(15)25-18/h3-10,14H,1-2H3