4-[[4-[4-(oxan-4-ylsulfonyl)phenyl]pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-[4-(oxan-4-ylsulfonyl)phenyl]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(4-tetrahydropyran-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-[4-(4-oxanylsulfonyl)phenyl]-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-[4-(oxan-4-ylsulfonyl)phenyl]pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(4-tetrahydropyran-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]benzoic acid Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCC1S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H21N3O5S/c26-21(27)16-1-5-17(6-2-16)24-22-23-12-9-20(25-22)15-3-7-18(8-4-15)31(28,29)19-10-13-30-14-11-19/h1-9,12,19H,10-11,13-14H2,(H,26,27)(H,23,24,25)