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

Systemtic Name: 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-[(3,8-dimethyl-2-quinolyl)sulfanyl]-N-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]acetamide CAS Name: 2-[(3,8-dimethyl-2-quinolinyl)thio]-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[(3,8-dimethyl-2-quinolyl)thio]-N-[4-(2-methylpiperidino)sulfonylphenyl]acetamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C4C=CC=C(C4=N3)C)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C4C=CC=C(C4=N3)C)C

InChI

InChI=1S/C25H29N3O3S2/c1-17-7-6-9-20-15-18(2)25(27-24(17)20)32-16-23(29)26-21-10-12-22(13-11-21)33(30,31)28-14-5-4-8-19(28)3/h6-7,9-13,15,19H,4-5,8,14,16H2,1-3H3,(H,26,29)