N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylsulfanyl-propanamide CAS Name: N-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]-3-(phenylthio)propanamide IUPAC Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylsulfanylpropanamide Traditional Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(phenylthio)propionamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N4O5S2/c1-29-20-14-18(23-21(24-20)30-2)25-32(27,28)17-10-8-15(9-11-17)22-19(26)12-13-31-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,23,24,25)