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

Systemtic Name: ethyl 6-[4-[[3-(3-methylsulfinyl-4-phenylmethoxy-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[[3-(4-benzyloxy-3-methylsulfinyl-phenoxy)-2-hydroxy-propyl]amino]-1-piperidyl]pyridine-3-carboxylate CAS Name: 6-[4-[[2-hydroxy-3-(3-methylsulfinyl-4-phenylmethoxyphenoxy)propyl]amino]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[[2-hydroxy-3-(3-methylsulfinyl-4-phenylmethoxyphenoxy)propyl]amino]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[[3-(4-benzoxy-3-methylsulfinyl-phenoxy)-2-hydroxy-propyl]amino]piperidino]nicotinic acid ethyl ester Formula: C30H37N3O6S MolecularWeight: 567.69628

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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)OCC4=CC=CC=C4)S(=O)C)O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCC(CC2)NCC(COC3=CC(=C(C=C3)OCC4=CC=CC=C4)S(=O)C)O

InChI

InChI=1S/C30H37N3O6S/c1-3-37-30(35)23-9-12-29(32-18-23)33-15-13-24(14-16-33)31-19-25(34)21-38-26-10-11-27(28(17-26)40(2)36)39-20-22-7-5-4-6-8-22/h4-12,17-18,24-25,31,34H,3,13-16,19-21H2,1-2H3