ethyl 4-[2-[(2-fluorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-fluorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-fluoro-N-(p-tolylsulfonyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-fluoro-N-tosyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26FN3O5S/c1-3-31-22(28)25-14-12-24(13-15-25)21(27)16-26(20-7-5-4-6-19(20)23)32(29,30)18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3