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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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