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

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C21H23N3O3S2/c1-4-18(21(25)23-15-8-10-16(11-9-15)29(22,26)27)28-19-12-14(3)17-7-5-6-13(2)20(17)24-19/h5-12,18H,4H2,1-3H3,(H,23,25)(H2,22,26,27)