3-[(4,5-diphenoxypyrimidin-2-yl)amino]benzenesulfonic acid

Systemtic Name: 3-[(4,5-diphenoxypyrimidin-2-yl)amino]benzenesulfonic acid Openeye Name: 3-[(4,5-diphenoxypyrimidin-2-yl)amino]benzenesulfonic acid CAS Name: 3-[(4,5-diphenoxy-2-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 3-[(4,5-diphenoxypyrimidin-2-yl)amino]benzenesulfonic acid Traditional Name: 3-[(4,5-diphenoxypyrimidin-2-yl)amino]besylic acid Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CN=C(N=C2OC3=CC=CC=C3)NC4=CC(=CC=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CN=C(N=C2OC3=CC=CC=C3)NC4=CC(=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C22H17N3O5S/c26-31(27,28)19-13-7-8-16(14-19)24-22-23-15-20(29-17-9-3-1-4-10-17)21(25-22)30-18-11-5-2-6-12-18/h1-15H,(H,23,24,25)(H,26,27,28)