ethyl 4-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2,5-dimethyl-N-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-2,5-dimethyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-5-26-18(23)20-10-8-19(9-11-20)17(22)13-21(27(4,24)25)16-12-14(2)6-7-15(16)3/h6-7,12H,5,8-11,13H2,1-4H3