N-(3-methylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-(3-methylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(3-methylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-(3-methylsulfonylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-methylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(3-mesylphenyl)-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H21N5O3S/c1-26(24,25)15-5-2-4-14(12-15)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)