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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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