ethyl 4-[2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2,4,6-trimethyl-N-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-2,4,6-trimethyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C=C(C=C2C)C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C=C(C=C2C)C)C)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O5S/c1-6-27-19(24)21-9-7-20(8-10-21)17(23)13-22(28(5,25)26)18-15(3)11-14(2)12-16(18)4/h11-12H,6-10,13H2,1-5H3