[2-azanyl-2-(phenylsulfonylamino)propanoyl] 2-ethoxy-3-(pyrimidin-2-ylamino)benzoate

Systemtic Name: [2-azanyl-2-(phenylsulfonylamino)propanoyl] 2-ethoxy-3-(pyrimidin-2-ylamino)benzoate Openeye Name: [2-amino-2-(benzenesulfonamido)propanoyl] 2-ethoxy-3-(pyrimidin-2-ylamino)benzoate CAS Name: 2-ethoxy-3-(2-pyrimidinylamino)benzoic acid [2-amino-2-(benzenesulfonamido)-1-oxopropyl] ester IUPAC Name: [2-amino-2-(benzenesulfonamido)propanoyl] 2-ethoxy-3-(pyrimidin-2-ylamino)benzoate Traditional Name: 2-ethoxy-3-(2-pyrimidylamino)benzoic acid [2-amino-2-(benzenesulfonamido)propanoyl] ester Formula: C22H23N5O6S MolecularWeight: 485.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1NC2=NC=CC=N2)C(=O)OC(=O)C(C)(N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC=C1NC2=NC=CC=N2)C(=O)OC(=O)C(C)(N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O6S/c1-3-32-18-16(11-7-12-17(18)26-21-24-13-8-14-25-21)19(28)33-20(29)22(2,23)27-34(30,31)15-9-5-4-6-10-15/h4-14,27H,3,23H2,1-2H3,(H,24,25,26)