1-butyl-6-fluoranyl-3-(4-methylphenyl)sulfonyl-7-[(3R)-3-methylpiperidin-1-yl]quinolin-4-one

Systemtic Name: 1-butyl-6-fluoranyl-3-(4-methylphenyl)sulfonyl-7-[(3R)-3-methylpiperidin-1-yl]quinolin-4-one Openeye Name: 1-butyl-6-fluoro-7-[(3R)-3-methyl-1-piperidyl]-3-(p-tolylsulfonyl)quinolin-4-one CAS Name: 1-butyl-6-fluoro-3-(4-methylphenyl)sulfonyl-7-[(3R)-3-methyl-1-piperidinyl]-4-quinolinone IUPAC Name: 1-butyl-6-fluoro-3-(4-methylphenyl)sulfonyl-7-[(3R)-3-methylpiperidin-1-yl]quinolin-4-one Traditional Name: 1-butyl-6-fluoro-7-[(3R)-3-methylpiperidino]-3-tosyl-4-quinolone Formula: C26H31FN2O3S MolecularWeight: 470.599343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC(C3)C)F)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC[C@H](C3)C)F)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H31FN2O3S/c1-4-5-12-29-17-25(33(31,32)20-10-8-18(2)9-11-20)26(30)21-14-22(27)24(15-23(21)29)28-13-6-7-19(3)16-28/h8-11,14-15,17,19H,4-7,12-13,16H2,1-3H3/t19-/m1/s1