[2-azanyl-2-(phenylsulfonylamino)propanoyl] 2-[2-(pyrimidin-2-ylamino)ethoxy]benzoate

Systemtic Name: [2-azanyl-2-(phenylsulfonylamino)propanoyl] 2-[2-(pyrimidin-2-ylamino)ethoxy]benzoate Openeye Name: [2-amino-2-(benzenesulfonamido)propanoyl] 2-[2-(pyrimidin-2-ylamino)ethoxy]benzoate CAS Name: 2-[2-(2-pyrimidinylamino)ethoxy]benzoic acid [2-amino-2-(benzenesulfonamido)-1-oxopropyl] ester IUPAC Name: [2-amino-2-(benzenesulfonamido)propanoyl] 2-[2-(pyrimidin-2-ylamino)ethoxy]benzoate Traditional Name: 2-[2-(2-pyrimidylamino)ethoxy]benzoic acid [2-amino-2-(benzenesulfonamido)propanoyl] ester Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(=O)C1=CC=CC=C1OCCNC2=NC=CC=N2)(N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC(=O)C1=CC=CC=C1OCCNC2=NC=CC=N2)(N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O6S/c1-22(23,27-34(30,31)16-8-3-2-4-9-16)20(29)33-19(28)17-10-5-6-11-18(17)32-15-14-26-21-24-12-7-13-25-21/h2-13,27H,14-15,23H2,1H3,(H,24,25,26)