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

Systemtic Name: 6-fluoranyl-1-(phenylmethyl)-3-(phenylsulfonyl)-7-piperidin-1-yl-quinolin-4-one Openeye Name: 3-(benzenesulfonyl)-1-benzyl-6-fluoro-7-(1-piperidyl)quinolin-4-one CAS Name: 3-(benzenesulfonyl)-6-fluoro-1-(phenylmethyl)-7-(1-piperidinyl)-4-quinolinone IUPAC Name: 3-(benzenesulfonyl)-1-benzyl-6-fluoro-7-piperidin-1-ylquinolin-4-one Traditional Name: 1-benzyl-3-besyl-6-fluoro-7-piperidino-4-quinolone Formula: C27H25FN2O3S MolecularWeight: 476.562403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5)F

Isomeric SMILES

C1CCN(CC1)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/C27H25FN2O3S/c28-23-16-22-24(17-25(23)29-14-8-3-9-15-29)30(18-20-10-4-1-5-11-20)19-26(27(22)31)34(32,33)21-12-6-2-7-13-21/h1-2,4-7,10-13,16-17,19H,3,8-9,14-15,18H2