2-[6-(dimethylsulfamoyl)-4-methyl-quinolin-2-yl]sulfanyl-N-phenyl-butanamide

Systemtic Name: 2-[6-(dimethylsulfamoyl)-4-methyl-quinolin-2-yl]sulfanyl-N-phenyl-butanamide Openeye Name: 2-[[6-(dimethylsulfamoyl)-4-methyl-2-quinolyl]sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[6-(dimethylsulfamoyl)-4-methyl-2-quinolinyl]thio]-N-phenylbutanamide IUPAC Name: 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylbutanamide Traditional Name: 2-[[6-(dimethylsulfamoyl)-4-methyl-2-quinolyl]thio]-N-phenyl-butyramide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N(C)C)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N(C)C)C(=C2)C

InChI

InChI=1S/C22H25N3O3S2/c1-5-20(22(26)23-16-9-7-6-8-10-16)29-21-13-15(2)18-14-17(11-12-19(18)24-21)30(27,28)25(3)4/h6-14,20H,5H2,1-4H3,(H,23,26)