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

Systemtic Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]piperidine-4-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-piperidinoethoxy)benzyl]isonipecotic acid ethyl ester Formula: C29H40N2O6S MolecularWeight: 544.7027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)OCCN3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)OCCN3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H40N2O6S/c1-3-36-28(32)29(38(33,34)27-13-11-25(35-2)12-14-27)15-19-31(20-16-29)23-24-7-9-26(10-8-24)37-22-21-30-17-5-4-6-18-30/h7-14H,3-6,15-23H2,1-2H3