2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]propanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propionamide Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H21N5O4S2/c1-13-12-14(2)24-21(23-13)27-33(29,30)17-10-8-16(9-11-17)25-20(28)15(3)32-22-26-18-6-4-5-7-19(18)31-22/h4-12,15H,1-3H3,(H,25,28)(H,23,24,27)