ethyl 4-[(2S)-2-[(4-fluorophenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-[(4-fluorophenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-(4-fluoro-N-methylsulfonyl-anilino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-(4-fluoro-N-methylsulfonylanilino)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(4-fluoro-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(4-fluoro-N-mesyl-anilino)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H24FN3O5S MolecularWeight: 401.452963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C17H24FN3O5S/c1-4-26-17(23)20-11-9-19(10-12-20)16(22)13(2)21(27(3,24)25)15-7-5-14(18)6-8-15/h5-8,13H,4,9-12H2,1-3H3/t13-/m0/s1