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

Systemtic Name: ethyl 4-[3-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(3-chloro-2-methyl-phenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[3-[(3-chloro-2-methylanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-chloro-2-methylphenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-[(3-chloro-2-methyl-phenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H23ClFN3O5S MolecularWeight: 483.940823

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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(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O5S/c1-3-31-21(28)25-9-11-26(12-10-25)32(29,30)15-7-8-18(23)16(13-15)20(27)24-19-6-4-5-17(22)14(19)2/h4-8,13H,3,9-12H2,1-2H3,(H,24,27)