ethyl 4-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-acetyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-acetyl-N-mesyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S/c1-4-27-18(24)20-10-8-19(9-11-20)17(23)13-21(28(3,25)26)16-7-5-6-15(12-16)14(2)22/h5-7,12H,4,8-11,13H2,1-3H3