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

Systemtic Name: ethyl 4-[4-fluoranyl-3-[(4-methylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-fluoro-3-(p-tolylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-fluoro-3-[(4-methylanilino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-fluoro-3-[(4-methylphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-(p-tolylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H24FN3O5S MolecularWeight: 449.495763

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O5S/c1-3-30-21(27)24-10-12-25(13-11-24)31(28,29)17-8-9-19(22)18(14-17)20(26)23-16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)