6-fluoranyl-3-(3-methylphenyl)sulfonyl-7-(2-methylpiperidin-1-yl)-1-(phenylmethyl)quinolin-4-one

Systemtic Name: 6-fluoranyl-3-(3-methylphenyl)sulfonyl-7-(2-methylpiperidin-1-yl)-1-(phenylmethyl)quinolin-4-one Openeye Name: 1-benzyl-6-fluoro-7-(2-methyl-1-piperidyl)-3-(m-tolylsulfonyl)quinolin-4-one CAS Name: 6-fluoro-3-(3-methylphenyl)sulfonyl-7-(2-methyl-1-piperidinyl)-1-(phenylmethyl)-4-quinolinone IUPAC Name: 1-benzyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-(2-methylpiperidin-1-yl)quinolin-4-one Traditional Name: 1-benzyl-6-fluoro-7-(2-methylpiperidino)-3-(m-tolylsulfonyl)-4-quinolone Formula: C29H29FN2O3S MolecularWeight: 504.615563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=CC(=C4)C)CC5=CC=CC=C5)F

Isomeric SMILES

CC1CCCCN1C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=CC(=C4)C)CC5=CC=CC=C5)F

InChI

InChI=1S/C29H29FN2O3S/c1-20-9-8-13-23(15-20)36(34,35)28-19-31(18-22-11-4-3-5-12-22)26-17-27(25(30)16-24(26)29(28)33)32-14-7-6-10-21(32)2/h3-5,8-9,11-13,15-17,19,21H,6-7,10,14,18H2,1-2H3