4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-N,N-diethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-N,N-diethyl-piperazine-1-sulfonamide Openeye Name: 4-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]-N,N-diethyl-piperazine-1-sulfonamide CAS Name: 4-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-N,N-diethyl-1-piperazinesulfonamide IUPAC Name: 4-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide Traditional Name: 4-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]-N,N-diethyl-piperazine-1-sulfonamide Formula: C19H27ClN4O2S2 MolecularWeight: 443.02628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C19H27ClN4O2S2/c1-4-23(5-2)28(25,26)24-10-8-22(9-11-24)14-16-12-15-6-7-17(27-3)13-18(15)21-19(16)20/h6-7,12-13H,4-5,8-11,14H2,1-3H3