(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H27NO5S2/c1-14-12-15(2)21(17(4)24)16(3)19(14)13-28-22(25)18-7-9-23(10-8-18)30(26,27)20-6-5-11-29-20/h5-6,11-12,18H,7-10,13H2,1-4H3