2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(3-cyano-2-quinolyl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(3-cyano-2-quinolinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3-cyano-2-quinolyl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3C#N

InChI

InChI=1S/C22H20N4O3S2/c23-14-17-13-16-5-1-2-6-20(16)25-22(17)30-15-21(27)24-18-7-9-19(10-8-18)31(28,29)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12,15H2,(H,24,27)