N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[(4-nitrobenzyl)thio]acetamide Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O5S2/c1-14-11-15(2)23-21(22-14)25-33(30,31)19-9-5-17(6-10-19)24-20(27)13-32-12-16-3-7-18(8-4-16)26(28)29/h3-11H,12-13H2,1-2H3,(H,24,27)(H,22,23,25)