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

Systemtic Name: 8-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline Openeye Name: 8-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline CAS Name: 8-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-3-methylquinoline IUPAC Name: 8-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-3-methylquinoline Traditional Name: 8-[4-(2-chloro-4-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=C(C=C4)F)Cl

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=C(C=C(C=C4)F)Cl

InChI

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