(7-fluoranyl-2-methyl-quinolin-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (7-fluoranyl-2-methyl-quinolin-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (7-fluoro-2-methyl-3-quinolyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (7-fluoro-2-methyl-3-quinolinyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (7-fluoro-2-methylquinolin-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (7-fluoro-2-methyl-3-quinolyl)-(4-tosylpiperazino)methanone Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=C4C=C(C=CC4=C3)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=C4C=C(C=CC4=C3)F)C

InChI

InChI=1S/C22H22FN3O3S/c1-15-3-7-19(8-4-15)30(28,29)26-11-9-25(10-12-26)22(27)20-13-17-5-6-18(23)14-21(17)24-16(20)2/h3-8,13-14H,9-12H2,1-2H3