3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C19H18FN6O3S- MolecularWeight: 429.448023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=NC4=NC=NN4)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=NC4=NC=NN4)[O-]

InChI

InChI=1S/C19H19FN6O3S/c20-15-4-6-16(7-5-15)25-8-10-26(11-9-25)30(28,29)17-3-1-2-14(12-17)18(27)23-19-21-13-22-24-19/h1-7,12-13H,8-11H2,(H2,21,22,23,24,27)/p-1