ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3-phenoxyphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3-phenoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3-phenoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-[(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3-phenoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxybenzyl)isonipecotic acid ethyl ester Formula: C31H37NO6S MolecularWeight: 551.69358

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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)OC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C31H37NO6S/c1-3-5-22-37-26-14-16-29(17-15-26)39(34,35)31(30(33)36-4-2)18-20-32(21-19-31)24-25-10-9-13-28(23-25)38-27-11-7-6-8-12-27/h6-17,23H,3-5,18-22,24H2,1-2H3