2-[4-[2-[2-(4-fluoranylphenoxy)ethyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[2-(4-fluoranylphenoxy)ethyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[2-(4-fluorophenoxy)ethyl-methyl-amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[2-(4-fluorophenoxy)ethyl-methyl-amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C22H25FN4O4S MolecularWeight: 460.521703

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)F)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)F)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H25FN4O4S/c1-25(14-15-31-20-8-6-19(23)7-9-20)17-22(28)26-10-12-27(13-11-26)32(29,30)21-5-3-2-4-18(21)16-24/h2-9H,10-15,17H2,1H3