2-fluoranyl-N-[6-[4-(phenylsulfonyl)piperazin-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[6-[4-(phenylsulfonyl)piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyridyl]-2-fluoro-benzamide CAS Name: N-[6-[4-(benzenesulfonyl)-1-piperazinyl]-3-pyridinyl]-2-fluorobenzamide IUPAC Name: N-[6-[4-(benzenesulfonyl)piperazin-1-yl]pyridin-3-yl]-2-fluorobenzamide Traditional Name: N-[6-(4-besylpiperazino)-3-pyridyl]-2-fluoro-benzamide Formula: C22H21FN4O3S MolecularWeight: 440.490543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21FN4O3S/c23-20-9-5-4-8-19(20)22(28)25-17-10-11-21(24-16-17)26-12-14-27(15-13-26)31(29,30)18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,28)