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

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(3-cyano-5-keto-7,7-dimethyl-6,8-dihydroquinolin-2-yl)thio]acetamide Formula: C25H27ClN4O4S2 MolecularWeight: 547.08928

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl)C#N)C(=O)C1)C

InChI

InChI=1S/C25H27ClN4O4S2/c1-25(2)12-21-18(22(31)13-25)10-16(14-27)24(29-21)35-15-23(32)28-20-11-17(6-7-19(20)26)36(33,34)30-8-4-3-5-9-30/h6-7,10-11H,3-5,8-9,12-13,15H2,1-2H3,(H,28,32)