ethyl 1-[[3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[[3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[[3-[[1-(8-quinolylsulfonyl)-4-piperidyl]oxy]phenyl]methyl]piperidine-2-carboxylate CAS Name: 1-[[3-[[1-(8-quinolinylsulfonyl)-4-piperidinyl]oxy]phenyl]methyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperidine-2-carboxylate Traditional Name: 1-[3-[[1-(8-quinolylsulfonyl)-4-piperidyl]oxy]benzyl]pipecolinic acid ethyl ester Formula: C29H35N3O5S MolecularWeight: 537.6703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1CC2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCCN1CC2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H35N3O5S/c1-2-36-29(33)26-12-3-4-17-31(26)21-22-8-5-11-25(20-22)37-24-14-18-32(19-15-24)38(34,35)27-13-6-9-23-10-7-16-30-28(23)27/h5-11,13,16,20,24,26H,2-4,12,14-15,17-19,21H2,1H3