ethyl 4-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(4-chloro-2-fluoro-phenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[3-[(4-chloro-2-fluoroanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-chloro-2-fluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-[(4-chloro-2-fluoro-phenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C20H20ClF2N3O5S MolecularWeight: 487.904706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C20H20ClF2N3O5S/c1-2-31-20(28)25-7-9-26(10-8-25)32(29,30)14-4-5-16(22)15(12-14)19(27)24-18-6-3-13(21)11-17(18)23/h3-6,11-12H,2,7-10H2,1H3,(H,24,27)