ethyl 4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(2,6-difluorophenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(2,6-difluorophenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,6-difluorophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(2,6-difluorophenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C13H16F2N2O4S MolecularWeight: 334.338946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C13H16F2N2O4S/c1-2-21-13(18)16-6-8-17(9-7-16)22(19,20)12-10(14)4-3-5-11(12)15/h3-5H,2,6-9H2,1H3