N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-(benzylthio)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propionamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSCC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N4O3S2/c1-16-14-17(2)24-22(23-16)26-31(28,29)20-10-8-19(9-11-20)25-21(27)12-13-30-15-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,25,27)(H,23,24,26)