3-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one

Systemtic Name: 3-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Openeye Name: 3-[(E)-2-(4-fluorophenyl)vinyl]sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one CAS Name: 3-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinone IUPAC Name: 3-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Traditional Name: 3-[(E)-2-(4-fluorophenyl)vinyl]sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one Formula: C22H26FN5O3S MolecularWeight: 459.536943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NN2CCNC(C2=O)S(=O)(=O)C=CC3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1NN2CCNC(C2=O)S(=O)(=O)/C=C/C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C22H26FN5O3S/c23-18-3-1-17(2-4-18)9-16-32(30,31)21-22(29)28(15-12-25-21)26-19-7-13-27(14-8-19)20-5-10-24-11-6-20/h1-6,9-11,16,19,21,25-26H,7-8,12-15H2/b16-9+