[2-azanyl-2-(phenylsulfonylamino)propanoyl] 4-[3-(pyrimidin-2-ylamino)phenyl]benzoate

Systemtic Name: [2-azanyl-2-(phenylsulfonylamino)propanoyl] 4-[3-(pyrimidin-2-ylamino)phenyl]benzoate Openeye Name: [2-amino-2-(benzenesulfonamido)propanoyl] 4-[3-(pyrimidin-2-ylamino)phenyl]benzoate CAS Name: 4-[3-(2-pyrimidinylamino)phenyl]benzoic acid [2-amino-2-(benzenesulfonamido)-1-oxopropyl] ester IUPAC Name: [2-amino-2-(benzenesulfonamido)propanoyl] 4-[3-(pyrimidin-2-ylamino)phenyl]benzoate Traditional Name: 4-[3-(2-pyrimidylamino)phenyl]benzoic acid [2-amino-2-(benzenesulfonamido)propanoyl] ester Formula: C26H23N5O5S MolecularWeight: 517.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=NC=CC=N3)(N)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=NC=CC=N3)(N)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23N5O5S/c1-26(27,31-37(34,35)22-9-3-2-4-10-22)24(33)36-23(32)19-13-11-18(12-14-19)20-7-5-8-21(17-20)30-25-28-15-6-16-29-25/h2-17,31H,27H2,1H3,(H,28,29,30)