methyl 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]-1-piperidyl]pyridine-3-carboxylate CAS Name: 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]-1-piperidinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[3-[(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidino]nicotinic acid methyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)N2CCC(CC2)CCCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)N2CCC(CC2)CCCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C25H33N3O5S/c1-32-25(29)21-6-8-24(26-17-21)27-12-9-19(10-13-27)4-3-15-33-23-7-5-22-18-28(34(2,30)31)14-11-20(22)16-23/h5-8,16-17,19H,3-4,9-15,18H2,1-2H3