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

Systemtic Name: ethyl 4-[3-[(2,3-dimethylphenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(2,3-dimethylphenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[3-[(2,3-dimethylanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2,3-dimethylphenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-[(2,3-dimethylphenyl)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:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC(=C3C)C

InChI

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