N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(3,5,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(3,5,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-2-[(3,5,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2-[(3,5,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(4-methylpiperidino)sulfonylphenyl]-2-[(3,5,8-trimethyl-2-quinolyl)thio]acetamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(C=CC(=C4C=C3C)C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(C=CC(=C4C=C3C)C)C

InChI

InChI=1S/C26H31N3O3S2/c1-17-11-13-29(14-12-17)34(31,32)22-9-7-21(8-10-22)27-24(30)16-33-26-20(4)15-23-18(2)5-6-19(3)25(23)28-26/h5-10,15,17H,11-14,16H2,1-4H3,(H,27,30)