(5-bromanylpyridin-3-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-(4-mesitylsulfonylpiperazino)methanone Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3S/c1-13-8-14(2)18(15(3)9-13)27(25,26)23-6-4-22(5-7-23)19(24)16-10-17(20)12-21-11-16/h8-12H,4-7H2,1-3H3