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

Systemtic Name: ethyl 4-[3-[(4-ethylphenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(4-ethylphenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[3-[(4-ethylanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-ethylphenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-[(4-ethylphenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC)F

InChI

InChI=1S/C22H26FN3O5S/c1-3-16-5-7-17(8-6-16)24-21(27)19-15-18(9-10-20(19)23)32(29,30)26-13-11-25(12-14-26)22(28)31-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,27)