N-[4-[5-azanyl-1-[4-(trifluoromethyl)pyrazin-4-ium-2-yl]pyrazol-3-yl]phenyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[4-[5-azanyl-1-[4-(trifluoromethyl)pyrazin-4-ium-2-yl]pyrazol-3-yl]phenyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[4-[5-amino-1-[4-(trifluoromethyl)pyrazin-4-ium-2-yl]pyrazol-3-yl]phenyl]-4-methoxy-benzenesulfonamide CAS Name: N-[4-[5-amino-1-[4-(trifluoromethyl)-2-pyrazin-4-iumyl]-3-pyrazolyl]phenyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[4-[5-amino-1-[4-(trifluoromethyl)pyrazin-4-ium-2-yl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide Traditional Name: N-[4-[5-amino-1-[4-(trifluoromethyl)pyrazin-4-ium-2-yl]pyrazol-3-yl]phenyl]-4-methoxy-benzenesulfonamide Formula: C21H18F3N6O3S+ MolecularWeight: 491.46623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(=C3)N)C4=NC=C[N+](=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(=C3)N)C4=NC=C[N+](=C4)C(F)(F)F

InChI

InChI=1S/C21H18F3N6O3S/c1-33-16-6-8-17(9-7-16)34(31,32)28-15-4-2-14(3-5-15)18-12-19(25)30(27-18)20-13-29(11-10-26-20)21(22,23)24/h2-13,28H,25H2,1H3/q+1