2-[6-bromanyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-pyridin-2-yl]piperazine-1,2-diamine

Systemtic Name: 2-[6-bromanyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-pyridin-2-yl]piperazine-1,2-diamine Openeye Name: 2-[6-bromo-4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridyl]piperazine-1,2-diamine CAS Name: 2-[6-bromo-4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]piperazine-1,2-diamine IUPAC Name: 2-[6-bromo-4-[3-(trifluoromethyl)phenyl]sulfonylpyridin-2-yl]piperazine-1,2-diamine Traditional Name: [2-amino-2-[6-bromo-4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridyl]piperazino]amine Formula: C16H17BrF3N5O2S MolecularWeight: 480.30269

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)(C2=NC(=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)Br)N)N

Isomeric SMILES

C1CN(C(CN1)(C2=NC(=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)Br)N)N

InChI

InChI=1S/C16H17BrF3N5O2S/c17-14-8-12(7-13(24-14)15(21)9-23-4-5-25(15)22)28(26,27)11-3-1-2-10(6-11)16(18,19)20/h1-3,6-8,23H,4-5,9,21-22H2