N-(5-bromanylpyridin-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-(4-tosylpiperazino)acetamide Formula: C18H21BrN4O3S MolecularWeight: 453.35334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C18H21BrN4O3S/c1-14-2-5-16(6-3-14)27(25,26)23-10-8-22(9-11-23)13-18(24)21-17-7-4-15(19)12-20-17/h2-7,12H,8-11,13H2,1H3,(H,20,21,24)