3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

Systemtic Name: 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide Openeye Name: 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N-(2-pyridylmethyl)thiophene-2-carboxamide CAS Name: 3-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-N-(2-pyridinylmethyl)-2-thiophenecarboxamide IUPAC Name: 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide Traditional Name: 3-[4-(2-fluorophenyl)piperazino]sulfonyl-N-(2-pyridylmethyl)thiophene-2-carboxamide Formula: C21H21FN4O3S2 MolecularWeight: 460.544843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)C3=C(SC=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)C3=C(SC=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C21H21FN4O3S2/c22-17-6-1-2-7-18(17)25-10-12-26(13-11-25)31(28,29)19-8-14-30-20(19)21(27)24-15-16-5-3-4-9-23-16/h1-9,14H,10-13,15H2,(H,24,27)