(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C25H31NO5S/c1-17-14-18(2)25(20(4)27)19(3)23(17)16-31-24(28)15-21-8-10-22(11-9-21)32(29,30)26-12-6-5-7-13-26/h8-11,14H,5-7,12-13,15-16H2,1-4H3