ethyl 2-methyl-2-octylsulfonyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoate

Systemtic Name: ethyl 2-methyl-2-octylsulfonyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoate Openeye Name: ethyl 2-methyl-2-octylsulfonyl-3-[4-[2-(1-piperidyl)ethoxy]phenyl]propanoate CAS Name: 2-methyl-2-octylsulfonyl-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-octylsulfonyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoate Traditional Name: 2-methyl-2-octylsulfonyl-3-[4-(2-piperidinoethoxy)phenyl]propionic acid ethyl ester Formula: C27H45NO5S MolecularWeight: 495.7149

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C(C)(CC1=CC=C(C=C1)OCCN2CCCCC2)C(=O)OCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)C(C)(CC1=CC=C(C=C1)OCCN2CCCCC2)C(=O)OCC

InChI

InChI=1S/C27H45NO5S/c1-4-6-7-8-9-13-22-34(30,31)27(3,26(29)32-5-2)23-24-14-16-25(17-15-24)33-21-20-28-18-11-10-12-19-28/h14-17H,4-13,18-23H2,1-3H3