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

Systemtic Name: 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(4-methyl-2-oxo-thiazol-3-yl)ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-(4-methyl-2-oxo-3-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid 2-(2-keto-4-methyl-4-thiazolin-3-yl)ethyl ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCCN3C(=CSC3=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCCN3C(=CSC3=O)C)C

InChI

InChI=1S/C21H28N2O5S2/c1-14-11-15(2)19(16(3)12-14)30(26,27)22-7-5-18(6-8-22)20(24)28-10-9-23-17(4)13-29-21(23)25/h11-13,18H,5-10H2,1-4H3