N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C24H27N3O3S2/c1-17-10-11-19(32(29,30)27-12-6-3-7-13-27)15-22(17)25-23(28)16-31-24-14-18(2)20-8-4-5-9-21(20)26-24/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,25,28)