ethyl 4-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-chloro-4-fluoro-N-mesyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21ClFN3O5S MolecularWeight: 421.871443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClFN3O5S/c1-3-26-16(23)20-8-6-19(7-9-20)15(22)11-21(27(2,24)25)12-4-5-14(18)13(17)10-12/h4-5,10H,3,6-9,11H2,1-2H3