tert-butyl 4-[2,5-bis(fluoranyl)-4-propyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,5-bis(fluoranyl)-4-propyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2,5-difluoro-4-propyl-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(2,5-difluoro-4-propylphenyl)sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,5-difluoro-4-propylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(2,5-difluoro-4-propyl-phenyl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C18H26F2N2O4S MolecularWeight: 404.471846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1F)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCCC1=CC(=C(C=C1F)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C18H26F2N2O4S/c1-5-6-13-11-15(20)16(12-14(13)19)27(24,25)22-9-7-21(8-10-22)17(23)26-18(2,3)4/h11-12H,5-10H2,1-4H3