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

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

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