N-[(4-methylsulfonylphenyl)methyl]-4-(4-pyrimidin-4-ylpyrazol-1-yl)benzamide

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-4-(4-pyrimidin-4-ylpyrazol-1-yl)benzamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-4-(4-pyrimidin-4-ylpyrazol-1-yl)benzamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-4-[4-(4-pyrimidinyl)-1-pyrazolyl]benzamide IUPAC Name: N-[(4-methylsulfonylphenyl)methyl]-4-(4-pyrimidin-4-ylpyrazol-1-yl)benzamide Traditional Name: N-(4-mesylbenzyl)-4-[4-(4-pyrimidyl)pyrazol-1-yl]benzamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C=C(C=N3)C4=NC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C=C(C=N3)C4=NC=NC=C4

InChI

InChI=1S/C22H19N5O3S/c1-31(29,30)20-8-2-16(3-9-20)12-24-22(28)17-4-6-19(7-5-17)27-14-18(13-26-27)21-10-11-23-15-25-21/h2-11,13-15H,12H2,1H3,(H,24,28)