N-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]thiophene-2-sulfonamide

Systemtic Name: N-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]thiophene-2-sulfonamide Openeye Name: N-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]thiophene-2-sulfonamide CAS Name: N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]propyl]-2-thiophenesulfonamide IUPAC Name: N-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]thiophene-2-sulfonamide Traditional Name: N-[3-keto-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]propyl]thiophene-2-sulfonamide Formula: C17H20F3N4O3S2+ MolecularWeight: 449.49091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19F3N4O3S2/c18-17(19,20)13-3-4-14(21-12-13)23-7-9-24(10-8-23)15(25)5-6-22-29(26,27)16-2-1-11-28-16/h1-4,11-12,22H,5-10H2/p+1