8-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline

Systemtic Name: 8-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline Openeye Name: 8-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline CAS Name: 8-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-3-methylquinoline IUPAC Name: 8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-3-methylquinoline Traditional Name: 8-[4-(2-chloro-6-fluoro-benzyl)piperazino]sulfonyl-3-methyl-quinoline Formula: C21H21ClFN3O2S MolecularWeight: 433.926743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F

InChI

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