2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

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