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

Systemtic Name: ethyl 4-[2-[(4-ethoxyphenyl)sulfonyl-(4-fluorophenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoro-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-fluoro-N-p-phenetylsulfonyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H28FN3O6S MolecularWeight: 493.548323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O6S/c1-3-32-20-9-11-21(12-10-20)34(30,31)27(19-7-5-18(24)6-8-19)17-22(28)25-13-15-26(16-14-25)23(29)33-4-2/h5-12H,3-4,13-17H2,1-2H3