2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(3-cyano-6-methoxy-2-quinolyl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(3-cyano-6-methoxy-2-quinolinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3-cyano-6-methoxy-2-quinolyl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H22N4O4S2/c1-31-19-6-9-21-16(13-19)12-17(14-24)23(26-21)32-15-22(28)25-18-4-7-20(8-5-18)33(29,30)27-10-2-3-11-27/h4-9,12-13H,2-3,10-11,15H2,1H3,(H,25,28)