2-[[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 2-[[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 2-[[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 2-[[4-(2,4-dichlorophenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 2-[[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 2-[[4-(2,4-dichlorophenyl)sulfonylpiperazino]methyl]quinoline Formula: C20H19Cl2N3O2S MolecularWeight: 436.35476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O2S/c21-16-6-8-20(18(22)13-16)28(26,27)25-11-9-24(10-12-25)14-17-7-5-15-3-1-2-4-19(15)23-17/h1-8,13H,9-12,14H2