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

Systemtic Name: 4-[(E)-2-(4-bromophenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Openeye Name: 4-[(E)-2-(4-bromophenyl)vinyl]sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one CAS Name: 4-[(E)-2-(4-bromophenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinone IUPAC Name: 4-[(E)-2-(4-bromophenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Traditional Name: 4-[(E)-2-(4-bromophenyl)vinyl]sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one Formula: C22H26BrN5O3S MolecularWeight: 520.44254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NN2CCN(CC2=O)S(=O)(=O)C=CC3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1NN2CCN(CC2=O)S(=O)(=O)/C=C/C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C22H26BrN5O3S/c23-19-3-1-18(2-4-19)9-16-32(30,31)27-14-15-28(22(29)17-27)25-20-7-12-26(13-8-20)21-5-10-24-11-6-21/h1-6,9-11,16,20,25H,7-8,12-15,17H2/b16-9+