ditert-butyl 2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl 2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioate Openeye Name: ditert-butyl 2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioate CAS Name: 2-[[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioate Traditional Name: 2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]glutaric acid ditert-butyl ester Formula: C25H39ClN2O9S MolecularWeight: 579.10316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OC1=CC=C(C=C1)N(CCOS(=O)(=O)C)CCCl

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OC1=CC=C(C=C1)N(CCOS(=O)(=O)C)CCCl

InChI

InChI=1S/C25H39ClN2O9S/c1-24(2,3)36-21(29)13-12-20(22(30)37-25(4,5)6)27-23(31)35-19-10-8-18(9-11-19)28(15-14-26)16-17-34-38(7,32)33/h8-11,20H,12-17H2,1-7H3,(H,27,31)