2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(4-methoxy-3-sulfamoyl-phenyl)benzamide

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(4-methoxy-3-sulfamoyl-phenyl)benzamide Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(4-methoxy-3-sulfamoyl-phenyl)benzamide CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-(4-methoxy-3-sulfamoylphenyl)benzamide IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(4-methoxy-3-sulfamoylphenyl)benzamide Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-(4-methoxy-3-sulfamoyl-phenyl)benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N)C

InChI

InChI=1S/C21H22N4O4S2/c1-13-10-14(2)24-21(23-13)30-12-15-6-4-5-7-17(15)20(26)25-16-8-9-18(29-3)19(11-16)31(22,27)28/h4-11H,12H2,1-3H3,(H,25,26)(H2,22,27,28)