N-(2-cyano-1-phenyl-ethyl)-3-methylsulfonyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(2-cyano-1-phenyl-ethyl)-3-methylsulfonyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(2-cyano-1-phenyl-ethyl)-3-methylsulfonyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-(2-cyano-1-phenylethyl)-3-methylsulfonyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(2-cyano-1-phenylethyl)-3-methylsulfonyl-2-phenylquinoline-4-carboxamide Traditional Name: N-(2-cyano-1-phenyl-ethyl)-3-mesyl-2-phenyl-cinchoninamide Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(CC#N)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O3S/c1-33(31,32)25-23(26(30)29-21(16-17-27)18-10-4-2-5-11-18)20-14-8-9-15-22(20)28-24(25)19-12-6-3-7-13-19/h2-15,21H,16H2,1H3,(H,29,30)