ethyl 6-[4-[[3-(3-methylsulfonyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[[3-(3-methylsulfonyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfonyl-phenoxy)propyl]amino]-1-piperidyl]pyridine-3-carboxylate CAS Name: 6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfonylphenoxy)propyl]amino]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfonylphenoxy)propyl]amino]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[[2-hydroxy-3-(4-hydroxy-3-mesyl-phenoxy)propyl]amino]piperidino]nicotinic acid ethyl ester Formula: C23H31N3O7S MolecularWeight: 493.57314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCC(CC2)NCC(COC3=CC(=C(C=C3)O)S(=O)(=O)C)O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCC(CC2)NCC(COC3=CC(=C(C=C3)O)S(=O)(=O)C)O

InChI

InChI=1S/C23H31N3O7S/c1-3-32-23(29)16-4-7-22(25-13-16)26-10-8-17(9-11-26)24-14-18(27)15-33-19-5-6-20(28)21(12-19)34(2,30)31/h4-7,12-13,17-18,24,27-28H,3,8-11,14-15H2,1-2H3