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

Systemtic Name: azane; 1-[6-bromanyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-pyridin-2-yl]piperazine Openeye Name: ammonia; 1-[6-bromo-4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridyl]piperazine CAS Name: ammonia; 1-[6-bromo-4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]piperazine IUPAC Name: azane; 1-[6-bromo-4-[3-(trifluoromethyl)phenyl]sulfonylpyridin-2-yl]piperazine Traditional Name: ammonia; 1-[6-bromo-4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridyl]piperazine Formula: C16H21BrF3N5O2S MolecularWeight: 484.33445

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)Br.N.N

Isomeric SMILES

C1CN(CCN1)C2=NC(=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)Br.N.N

InChI

InChI=1S/C16H15BrF3N3O2S.2H3N/c17-14-9-13(10-15(22-14)23-6-4-21-5-7-23)26(24,25)12-3-1-2-11(8-12)16(18,19)20;;/h1-3,8-10,21H,4-7H2;2*1H3