N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(3-cyano-5-oxidanylidene-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(3-cyano-5-oxidanylidene-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(3-cyano-5-keto-7,8-dihydro-6H-quinolin-2-yl)thio]acetamide Formula: C23H23ClN4O4S2 MolecularWeight: 519.03612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=C(C=C3C#N)C(=O)CCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=C(C=C3C#N)C(=O)CCC4

InChI

InChI=1S/C23H23ClN4O4S2/c24-18-8-7-16(34(31,32)28-9-2-1-3-10-28)12-20(18)26-22(30)14-33-23-15(13-25)11-17-19(27-23)5-4-6-21(17)29/h7-8,11-12H,1-6,9-10,14H2,(H,26,30)