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

Systemtic Name: 6-fluoranyl-7-(2-methylpiperidin-1-yl)-1-(phenylmethyl)-3-(phenylsulfonyl)quinolin-4-one Openeye Name: 3-(benzenesulfonyl)-1-benzyl-6-fluoro-7-(2-methyl-1-piperidyl)quinolin-4-one CAS Name: 3-(benzenesulfonyl)-6-fluoro-7-(2-methyl-1-piperidinyl)-1-(phenylmethyl)-4-quinolinone IUPAC Name: 3-(benzenesulfonyl)-1-benzyl-6-fluoro-7-(2-methylpiperidin-1-yl)quinolin-4-one Traditional Name: 1-benzyl-3-besyl-6-fluoro-7-(2-methylpiperidino)-4-quinolone Formula: C28H27FN2O3S MolecularWeight: 490.588983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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