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

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-4-fluoro-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-4-fluoroanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-4-fluoro-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O5S/c1-2-30-21(27)24-14-12-23(13-15-24)20(26)16-25(18-10-8-17(22)9-11-18)31(28,29)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3