2-[1,3-benzothiazol-2-yl(phenylsulfonyl)amino]-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-yl(phenylsulfonyl)amino]-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[1,3-benzothiazol-2-yl(besyl)amino]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN(C1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)CN(C1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3S2/c1-22(13-7-12-20)18(24)14-23(28(25,26)15-8-3-2-4-9-15)19-21-16-10-5-6-11-17(16)27-19/h2-6,8-11H,7,13-14H2,1H3