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

Systemtic Name: 7-(azepan-1-yl)-6-fluoranyl-1-(phenylmethyl)-3-(phenylsulfonyl)quinolin-4-one Openeye Name: 7-(azepan-1-yl)-3-(benzenesulfonyl)-1-benzyl-6-fluoro-quinolin-4-one CAS Name: 7-(1-azepanyl)-3-(benzenesulfonyl)-6-fluoro-1-(phenylmethyl)-4-quinolinone IUPAC Name: 7-(azepan-1-yl)-3-(benzenesulfonyl)-1-benzyl-6-fluoroquinolin-4-one Traditional Name: 7-(azepan-1-yl)-1-benzyl-3-besyl-6-fluoro-4-quinolone Formula: C28H27FN2O3S MolecularWeight: 490.588983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(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

C1CCCN(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/C28H27FN2O3S/c29-24-17-23-25(18-26(24)30-15-9-1-2-10-16-30)31(19-21-11-5-3-6-12-21)20-27(28(23)32)35(33,34)22-13-7-4-8-14-22/h3-8,11-14,17-18,20H,1-2,9-10,15-16,19H2