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

Systemtic Name: ethyl 6-[4-[[4-(3-methylsulfinyl-4-phenylmethoxy-phenoxy)-3-oxidanyl-butyl]amino]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[[4-(4-benzyloxy-3-methylsulfinyl-phenoxy)-3-hydroxy-butyl]amino]-1-piperidyl]pyridine-3-carboxylate CAS Name: 6-[4-[[3-hydroxy-4-(3-methylsulfinyl-4-phenylmethoxyphenoxy)butyl]amino]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[[3-hydroxy-4-(3-methylsulfinyl-4-phenylmethoxyphenoxy)butyl]amino]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[[4-(4-benzoxy-3-methylsulfinyl-phenoxy)-3-hydroxy-butyl]amino]piperidino]nicotinic acid ethyl ester Formula: C31H39N3O6S MolecularWeight: 581.72286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39N3O6S/c1-3-38-31(36)24-9-12-30(33-20-24)34-17-14-25(15-18-34)32-16-13-26(35)22-39-27-10-11-28(29(19-27)41(2)37)40-21-23-7-5-4-6-8-23/h4-12,19-20,25-26,32,35H,3,13-18,21-22H2,1-2H3