4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanyl-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanyl-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[3-(4-methoxytetrahydropyran-4-yl)phenyl]sulfanyl-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[3-(4-methoxy-4-oxanyl)phenyl]thio]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanyl-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[[3-(4-methoxytetrahydropyran-4-yl)phenyl]thio]-N-(2-pyrimidyl)benzenesulfonamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCOCC1)C2=CC(=CC=C2)SC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

COC1(CCOCC1)C2=CC(=CC=C2)SC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C22H23N3O4S2/c1-28-22(10-14-29-15-11-22)17-4-2-5-19(16-17)30-18-6-8-20(9-7-18)31(26,27)25-21-23-12-3-13-24-21/h2-9,12-13,16H,10-11,14-15H2,1H3,(H,23,24,25)