5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonyl-8-methyl-quinoline

Systemtic Name: 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonyl-8-methyl-quinoline Openeye Name: 5-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]sulfonyl-8-methyl-quinoline CAS Name: 5-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-8-methylquinoline IUPAC Name: 5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-8-methylquinoline Traditional Name: 5-[4-(2-chloro-6-fluoro-benzyl)piperazino]sulfonyl-8-methyl-quinoline Formula: C21H21ClFN3O2S MolecularWeight: 433.926743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F)C=CC=N2

InChI

InChI=1S/C21H21ClFN3O2S/c1-15-7-8-20(16-4-3-9-24-21(15)16)29(27,28)26-12-10-25(11-13-26)14-17-18(22)5-2-6-19(17)23/h2-9H,10-14H2,1H3