N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazino]acetamide Formula: C24H25N5O3S2 MolecularWeight: 495.617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C24H25N5O3S2/c1-18-15-19-5-4-8-22(24(19)26-16-18)34(31,32)29-12-10-28(11-13-29)17-23(30)27-20-6-2-3-7-21(20)33-14-9-25/h2-8,15-16H,10-14,17H2,1H3,(H,27,30)