tert-butyl 3,5-bis(fluoranyl)-5-(methoxysulfonyl-phenyl-piperazin-1-yl-methyl)-2-oxidanylidene-1,3-oxazolidine-4-carboxylate

Systemtic Name: tert-butyl 3,5-bis(fluoranyl)-5-(methoxysulfonyl-phenyl-piperazin-1-yl-methyl)-2-oxidanylidene-1,3-oxazolidine-4-carboxylate Openeye Name: tert-butyl 3,5-difluoro-5-(methoxysulfonyl-phenyl-piperazin-1-yl-methyl)-2-oxo-oxazolidine-4-carboxylate CAS Name: 3,5-difluoro-5-[methoxysulfonyl-phenyl-(1-piperazinyl)methyl]-2-oxo-4-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,5-difluoro-5-(methoxysulfonyl-phenyl-piperazin-1-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxylate Traditional Name: 3,5-difluoro-2-keto-5-(methoxysulfonyl-phenyl-piperazino-methyl)oxazolidine-4-carboxylic acid tert-butyl ester Formula: C20H27F2N3O7S MolecularWeight: 491.506086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(OC(=O)N1F)(C(C2=CC=CC=C2)(N3CCNCC3)S(=O)(=O)OC)F

Isomeric SMILES

CC(C)(C)OC(=O)C1C(OC(=O)N1F)(C(C2=CC=CC=C2)(N3CCNCC3)S(=O)(=O)OC)F

InChI

InChI=1S/C20H27F2N3O7S/c1-18(2,3)31-16(26)15-19(21,32-17(27)25(15)22)20(33(28,29)30-4,14-8-6-5-7-9-14)24-12-10-23-11-13-24/h5-9,15,23H,10-13H2,1-4H3