ethyl 4-[3-[(3,4-dichlorophenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(3,4-dichlorophenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(3,4-dichlorophenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[3-[(3,4-dichloroanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3,4-dichlorophenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-[(3,4-dichlorophenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C20H20Cl2FN3O5S MolecularWeight: 504.359303

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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=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2FN3O5S/c1-2-31-20(28)25-7-9-26(10-8-25)32(29,30)14-4-6-18(23)15(12-14)19(27)24-13-3-5-16(21)17(22)11-13/h3-6,11-12H,2,7-10H2,1H3,(H,24,27)