3-[[3-[4-(pyrimidin-2-ylamino)butoxy]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-[[3-[4-(pyrimidin-2-ylamino)butoxy]phenyl]sulfonylamino]butanoic acid Openeye Name: 3-[[3-[4-(pyrimidin-2-ylamino)butoxy]phenyl]sulfonylamino]butanoic acid CAS Name: 3-[[3-[4-(2-pyrimidinylamino)butoxy]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-[[3-[4-(pyrimidin-2-ylamino)butoxy]phenyl]sulfonylamino]butanoic acid Traditional Name: 3-[[3-[4-(2-pyrimidylamino)butoxy]phenyl]sulfonylamino]butyric acid Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)OCCCCNC2=NC=CC=N2

Isomeric SMILES

CC(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)OCCCCNC2=NC=CC=N2

InChI

InChI=1S/C18H24N4O5S/c1-14(12-17(23)24)22-28(25,26)16-7-4-6-15(13-16)27-11-3-2-8-19-18-20-9-5-10-21-18/h4-7,9-10,13-14,22H,2-3,8,11-12H2,1H3,(H,23,24)(H,19,20,21)