3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(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)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

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

InChI

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