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

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3S/c1-13-3-4-17(14(2)9-13)26(24,25)22-7-5-21(6-8-22)18(23)15-10-16(19)12-20-11-15/h3-4,9-12H,5-8H2,1-2H3