4-(2-cyano-2-quinolin-2-yl-ethanoyl)-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-(2-cyano-2-quinolin-2-yl-ethanoyl)-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-cyano-2-(2-quinolyl)acetyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-cyano-1-oxo-2-(2-quinolinyl)ethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-(2-cyano-2-quinolin-2-ylacetyl)-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-cyano-2-(2-quinolyl)acetyl]-N,N-diethyl-benzenesulfonamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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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=C3C=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21N3O3S/c1-3-25(4-2)29(27,28)18-12-9-17(10-13-18)22(26)19(15-23)21-14-11-16-7-5-6-8-20(16)24-21/h5-14,19H,3-4H2,1-2H3