(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C25H28N2O5S MolecularWeight: 468.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S/c1-16-13-17(2)24(19(4)28)18(3)23(16)15-32-25(29)21-9-11-27(12-10-21)33(30,31)22-7-5-20(14-26)6-8-22/h5-8,13,21H,9-12,15H2,1-4H3