N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C17H21ClN5O3S+ MolecularWeight: 410.89834

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H20ClN5O3S/c1-27(25,26)13-3-4-14(18)15(11-13)21-16(24)12-22-7-9-23(10-8-22)17-19-5-2-6-20-17/h2-6,11H,7-10,12H2,1H3,(H,21,24)/p+1