ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-pyridyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-pyridinyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-pyridyl)benzyl]isonipecotic acid ethyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H30N2O5S/c1-3-34-26(30)27(35(31,32)24-13-11-23(33-2)12-14-24)15-18-29(19-16-27)20-21-7-9-22(10-8-21)25-6-4-5-17-28-25/h4-14,17H,3,15-16,18-20H2,1-2H3