ethyl 4-(4-butoxyphenyl)sulfonyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-[4-(2-piperidinoethoxy)benzyl]isonipecotic acid ethyl ester Formula: C32H46N2O6S MolecularWeight: 586.78244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)OCCN4CCCCC4)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)OCCN4CCCCC4)C(=O)OCC

InChI

InChI=1S/C32H46N2O6S/c1-3-5-24-39-29-13-15-30(16-14-29)41(36,37)32(31(35)38-4-2)17-21-34(22-18-32)26-27-9-11-28(12-10-27)40-25-23-33-19-7-6-8-20-33/h9-16H,3-8,17-26H2,1-2H3