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

Systemtic Name: 2-[4-[2-[1-(4-fluorophenyl)ethyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[1-(4-fluorophenyl)ethyl-methyl-amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[1-(4-fluorophenyl)ethyl-methylamino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[1-(4-fluorophenyl)ethyl-methyl-amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O3S/c1-17(18-7-9-20(23)10-8-18)25(2)16-22(28)26-11-13-27(14-12-26)31(29,30)21-6-4-3-5-19(21)15-24/h3-10,17H,11-14,16H2,1-2H3