2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-pyrimidin-2-ylsulfanyl-propanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-pyrimidin-2-ylsulfanyl-propanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-pyrimidin-2-ylsulfanyl-propanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-(2-pyrimidinylthio)propanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-pyrimidin-2-ylsulfanylpropanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-(2-pyrimidylthio)propionic acid Formula: C25H20BrN3O4S2 MolecularWeight: 570.478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)SC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)SC4=NC=CC=N4

InChI

InChI=1S/C25H20BrN3O4S2/c26-20-11-7-17(8-12-20)18-9-13-21(14-10-18)35(32,33)29-22(24(30)31)23(19-5-2-1-3-6-19)34-25-27-15-4-16-28-25/h1-16,22-23,29H,(H,30,31)