ethyl 4-[2-[(4-fluoranyl-2-methylsulfonyl-phenyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-fluoranyl-2-methylsulfonyl-phenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-fluoro-2-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-fluoro-2-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-fluoro-2-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-fluoro-2-mesyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22FN3O5S MolecularWeight: 387.426383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CNC2=C(C=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CNC2=C(C=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C16H22FN3O5S/c1-3-25-16(22)20-8-6-19(7-9-20)15(21)11-18-13-5-4-12(17)10-14(13)26(2,23)24/h4-5,10,18H,3,6-9,11H2,1-2H3