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

Systemtic Name: 6-fluoranyl-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-7-piperidin-1-yl-quinolin-4-one Openeye Name: 1-benzyl-6-fluoro-7-(1-piperidyl)-3-(p-tolylsulfonyl)quinolin-4-one CAS Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-7-(1-piperidinyl)-4-quinolinone IUPAC Name: 1-benzyl-6-fluoro-3-(4-methylphenyl)sulfonyl-7-piperidin-1-ylquinolin-4-one Traditional Name: 1-benzyl-6-fluoro-7-piperidino-3-tosyl-4-quinolone Formula: C28H27FN2O3S MolecularWeight: 490.588983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27FN2O3S/c1-20-10-12-22(13-11-20)35(33,34)27-19-31(18-21-8-4-2-5-9-21)25-17-26(30-14-6-3-7-15-30)24(29)16-23(25)28(27)32/h2,4-5,8-13,16-17,19H,3,6-7,14-15,18H2,1H3