[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-(4-methylphenoxy)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-(4-methylphenoxy)propanoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3-(4-methylphenoxy)propanoate CAS Name: 3-(4-methylphenoxy)propanoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-(4-methylphenoxy)propanoate Traditional Name: 3-(4-methylphenoxy)propionic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27NO6S/c1-18-5-9-20(10-6-18)29-16-13-23(26)30-17-22(25)19-7-11-21(12-8-19)31(27,28)24-14-3-2-4-15-24/h5-12H,2-4,13-17H2,1H3