methyl 3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzenesulfonate

Systemtic Name: methyl 3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzenesulfonate Openeye Name: methyl 3-[[1-[2-[(2-methyl-5-quinolyl)oxy]ethyl]-4-piperidyl]methyl]benzenesulfonate CAS Name: 3-[[1-[2-[(2-methyl-5-quinolinyl)oxy]ethyl]-4-piperidinyl]methyl]benzenesulfonic acid methyl ester IUPAC Name: methyl 3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzenesulfonate Traditional Name: 3-[[1-[2-[(2-methyl-5-quinolyl)oxy]ethyl]-4-piperidyl]methyl]benzenesulfonic acid methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)OCCN3CCC(CC3)CC4=CC(=CC=C4)S(=O)(=O)OC

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)OCCN3CCC(CC3)CC4=CC(=CC=C4)S(=O)(=O)OC

InChI

InChI=1S/C25H30N2O4S/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-27-13-11-20(12-14-27)17-21-5-3-6-22(18-21)32(28,29)30-2/h3-10,18,20H,11-17H2,1-2H3