(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-ethylthiazol-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid (2-ethylthiazol-4-yl)methyl ester Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C21H28N2O4S2/c1-5-19-22-18(13-28-19)12-27-21(24)17-6-8-23(9-7-17)29(25,26)20-15(3)10-14(2)11-16(20)4/h10-11,13,17H,5-9,12H2,1-4H3