(2,6-dimethylquinolin-3-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2,6-dimethylquinolin-3-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-dimethyl-3-quinolyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(2,6-dimethyl-3-quinolinyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone Traditional Name: (4-besylpiperazino)-(2,6-dimethyl-3-quinolyl)methanone Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-16-8-9-21-18(14-16)15-20(17(2)23-21)22(26)24-10-12-25(13-11-24)29(27,28)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3