ethyl 1-[(4-bromophenyl)methyl]-4-[4-(4-morpholin-4-ylbut-2-ynoxy)phenyl]sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-bromophenyl)methyl]-4-[4-(4-morpholin-4-ylbut-2-ynoxy)phenyl]sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-bromophenyl)methyl]-4-[4-(4-morpholinobut-2-ynoxy)phenyl]sulfonyl-piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-4-[4-[4-(4-morpholinyl)but-2-ynoxy]phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromophenyl)methyl]-4-[4-(4-morpholin-4-ylbut-2-ynoxy)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-bromobenzyl)-4-[4-(4-morpholinobut-2-ynoxy)phenyl]sulfonyl-isonipecotic acid ethyl ester Formula: C29H35BrN2O6S MolecularWeight: 619.567

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)OCC#CCN4CCOCC4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)OCC#CCN4CCOCC4

InChI

InChI=1S/C29H35BrN2O6S/c1-2-37-28(33)29(13-16-32(17-14-29)23-24-5-7-25(30)8-6-24)39(34,35)27-11-9-26(10-12-27)38-20-4-3-15-31-18-21-36-22-19-31/h5-12H,2,13-23H2,1H3