4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(4-morpholinosulfonylphenyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-[4-(4-morpholinylsulfonyl)phenyl]-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(4-morpholinosulfonylphenyl)pyrimidin-2-yl]amino]benzoic acid Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H20N4O5S/c26-20(27)16-1-5-17(6-2-16)23-21-22-10-9-19(24-21)15-3-7-18(8-4-15)31(28,29)25-11-13-30-14-12-25/h1-10H,11-14H2,(H,26,27)(H,22,23,24)