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

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(4-morpholinosulfonylphenyl)butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-(4-morpholinosulfonylphenyl)butyramide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C25H29N3O4S2/c1-4-22(33-23-16-18(3)21-7-5-6-17(2)24(21)27-23)25(29)26-19-8-10-20(11-9-19)34(30,31)28-12-14-32-15-13-28/h5-11,16,22H,4,12-15H2,1-3H3,(H,26,29)