1-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonyl-4-ethanoyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide

Systemtic Name: 1-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonyl-4-ethanoyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide Openeye Name: 4-acetyl-1-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide CAS Name: 4-acetyl-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-2-piperazinecarboxamide IUPAC Name: 4-acetyl-1-(5-bromo-6-chloropyridin-3-yl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide Traditional Name: 4-acetyl-1-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]-N-[4-(trifluoromethyl)benzyl]piperazine-2-carboxamide Formula: C20H19BrClF3N4O4S MolecularWeight: 583.80647

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC(=C(N=C3)Cl)Br

Isomeric SMILES

CC(=O)N1CCN(C(C1)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC(=C(N=C3)Cl)Br

InChI

InChI=1S/C20H19BrClF3N4O4S/c1-12(30)28-6-7-29(34(32,33)15-8-16(21)18(22)26-10-15)17(11-28)19(31)27-9-13-2-4-14(5-3-13)20(23,24)25/h2-5,8,10,17H,6-7,9,11H2,1H3,(H,27,31)