4-[(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-ethanoyl]-N-methyl-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-ethanoyl]-N-methyl-N-phenyl-benzenesulfonamide Openeye Name: 4-[(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-acetyl]-N-methyl-N-phenyl-benzenesulfonamide CAS Name: 4-[(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-1-oxoethyl]-N-methyl-N-phenylbenzenesulfonamide IUPAC Name: 4-[(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyanoacetyl]-N-methyl-N-phenylbenzenesulfonamide Traditional Name: 4-[(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-acetyl]-N-methyl-N-phenyl-benzenesulfonamide Formula: C23H17N3O3S2 MolecularWeight: 447.52938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C23H17N3O3S2/c1-26(17-7-3-2-4-8-17)31(28,29)18-13-11-16(12-14-18)22(27)19(15-24)23-25-20-9-5-6-10-21(20)30-23/h2-14,25H,1H3/b23-19+