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

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-(4-piperidinosulfonylphenyl)butyramide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3S2/c1-4-23(33-24-17-19(3)22-10-8-9-18(2)25(22)28-24)26(30)27-20-11-13-21(14-12-20)34(31,32)29-15-6-5-7-16-29/h8-14,17,23H,4-7,15-16H2,1-3H3,(H,27,30)