ethyl 4-(4-butoxyphenyl)sulfonyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[[3-(2-morpholinoethoxy)phenyl]methyl]piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-[[3-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-[3-(2-morpholinoethoxy)benzyl]isonipecotic acid ethyl ester Formula: C31H44N2O7S MolecularWeight: 588.75526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=CC=C3)OCCN4CCOCC4)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=CC=C3)OCCN4CCOCC4)C(=O)OCC

InChI

InChI=1S/C31H44N2O7S/c1-3-5-20-39-27-9-11-29(12-10-27)41(35,36)31(30(34)38-4-2)13-15-33(16-14-31)25-26-7-6-8-28(24-26)40-23-19-32-17-21-37-22-18-32/h6-12,24H,3-5,13-23,25H2,1-2H3