(4-but-2-ynoxyphenyl)sulfonyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanoate

Systemtic Name: (4-but-2-ynoxyphenyl)sulfonyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanoate Openeye Name: (4-but-2-ynoxyphenyl)sulfonyl 2-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]butanoate CAS Name: 2-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]butanoic acid (4-but-2-ynoxyphenyl)sulfonyl ester IUPAC Name: (4-but-2-ynoxyphenyl)sulfonyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanoate Traditional Name: 2-(1-p-anisyl-4-piperidyl)butyric acid (4-but-2-ynoxyphenyl)sulfonyl ester Formula: C27H33NO6S MolecularWeight: 499.61902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCN(CC1)CC2=CC=C(C=C2)OC)C(=O)OS(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCC(C1CCN(CC1)CC2=CC=C(C=C2)OC)C(=O)OS(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C27H33NO6S/c1-4-6-19-33-24-11-13-25(14-12-24)35(30,31)34-27(29)26(5-2)22-15-17-28(18-16-22)20-21-7-9-23(32-3)10-8-21/h7-14,22,26H,5,15-20H2,1-3H3