2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]butanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-[4-(2-furylmethylsulfamoyl)phenyl]butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-(2-furanylmethylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-[4-(2-furfurylsulfamoyl)phenyl]butyramide Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C26H27N3O4S2/c1-4-23(34-24-15-18(3)22-9-5-7-17(2)25(22)29-24)26(30)28-19-10-12-21(13-11-19)35(31,32)27-16-20-8-6-14-33-20/h5-15,23,27H,4,16H2,1-3H3,(H,28,30)