2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-(4-piperidinosulfonylphenyl)butyramide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C25H29N3O3S2/c1-3-23(32-24-17-18(2)21-9-5-6-10-22(21)27-24)25(29)26-19-11-13-20(14-12-19)33(30,31)28-15-7-4-8-16-28/h5-6,9-14,17,23H,3-4,7-8,15-16H2,1-2H3,(H,26,29)