4-chloranyl-6-(2-hydroxyethyloxy)-3-(3-phenylmethoxyphenyl)-2-pyrimidin-4-yl-benzenesulfonamide

Systemtic Name: 4-chloranyl-6-(2-hydroxyethyloxy)-3-(3-phenylmethoxyphenyl)-2-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 3-(3-benzyloxyphenyl)-4-chloro-6-(2-hydroxyethoxy)-2-pyrimidin-4-yl-benzenesulfonamide CAS Name: 4-chloro-6-(2-hydroxyethoxy)-3-(3-phenylmethoxyphenyl)-2-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-chloro-6-(2-hydroxyethoxy)-3-(3-phenylmethoxyphenyl)-2-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 3-(3-benzoxyphenyl)-4-chloro-6-(2-hydroxyethoxy)-2-(4-pyrimidyl)benzenesulfonamide Formula: C25H22ClN3O5S MolecularWeight: 511.97728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(C=C(C(=C3C4=NC=NC=C4)S(=O)(=O)N)OCCO)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(C=C(C(=C3C4=NC=NC=C4)S(=O)(=O)N)OCCO)Cl

InChI

InChI=1S/C25H22ClN3O5S/c26-20-14-22(33-12-11-30)25(35(27,31)32)24(21-9-10-28-16-29-21)23(20)18-7-4-8-19(13-18)34-15-17-5-2-1-3-6-17/h1-10,13-14,16,30H,11-12,15H2,(H2,27,31,32)