6-fluoranyl-7-[(3S)-3-methylpiperidin-1-yl]-1-(phenylmethyl)-3-(phenylsulfonyl)quinolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5)F

Isomeric SMILES

C[C@H]1CCCN(C1)C2=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/c1-20-9-8-14-30(17-20)26-16-25-23(15-24(26)29)28(32)27(35(33,34)22-12-6-3-7-13-22)19-31(25)18-21-10-4-2-5-11-21/h2-7,10-13,15-16,19-20H,8-9,14,17-18H2,1H3/t20-/m0/s1