ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]butanoate

Systemtic Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]butanoate Openeye Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-[2-(1-piperidyl)ethoxy]phenyl]butanoate CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-[2-(1-piperidinyl)ethoxy]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]butanoate Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-(2-piperidinoethoxy)phenyl]butyric acid ethyl ester Formula: C29H37NO6S MolecularWeight: 527.67218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=C(C=C1)OCCN2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCOC(=O)C(CCC1=CC=C(C=C1)OCCN2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C29H37NO6S/c1-3-5-22-35-26-14-16-27(17-15-26)37(32,33)28(29(31)34-4-2)18-11-24-9-12-25(13-10-24)36-23-21-30-19-7-6-8-20-30/h9-10,12-17,28H,4,6-8,11,18-23H2,1-2H3