ditert-butyl 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluorophenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoyl]amino]pentanedioate Traditional Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoyl]amino]glutaric acid ditert-butyl ester Formula: C26H41FN2O11S2 MolecularWeight: 640.738943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC(=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC(=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)F

InChI

InChI=1S/C26H41FN2O11S2/c1-25(2,3)39-22(30)12-10-20(24(32)40-26(4,5)6)28-23(31)18-9-11-21(19(27)17-18)29(13-15-37-41(7,33)34)14-16-38-42(8,35)36/h9,11,17,20H,10,12-16H2,1-8H3,(H,28,31)