2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N4O3S2/c1-3-19(21(26)25-16-9-11-17(12-10-16)30(22,27)28)29-20-13-18(23-14(2)24-20)15-7-5-4-6-8-15/h4-13,19H,3H2,1-2H3,(H,25,26)(H2,22,27,28)