N-(4-piperidin-1-ylsulfonylphenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-2-[(3,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-2-[(3,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-piperidinosulfonylphenyl)-2-[(3,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C)C

InChI

InChI=1S/C25H29N3O3S2/c1-17-13-18(2)24-20(14-17)15-19(3)25(27-24)32-16-23(29)26-21-7-9-22(10-8-21)33(30,31)28-11-5-4-6-12-28/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,26,29)