5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]-2-pyridinamine IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-[3-(trifluoromethyl)phenyl]amine Formula: C17H20F3N4O2S+ MolecularWeight: 401.42651

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O2S/c1-23-7-9-24(10-8-23)27(25,26)15-5-6-16(21-12-15)22-14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12H,7-10H2,1H3,(H,21,22)/p+1