5-chloranyl-2-[(E)-2-[4-(5-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]sulfonylethenyl]phenol

Systemtic Name: 5-chloranyl-2-[(E)-2-[4-(5-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]sulfonylethenyl]phenol Openeye Name: 5-chloro-2-[(E)-2-[4-[5-(4-pyridyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylvinyl]phenol CAS Name: 5-chloro-2-[(E)-2-[[4-(5-pyridin-4-yl-2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethenyl]phenol IUPAC Name: 5-chloro-2-[(E)-2-[4-(5-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]sulfonylethenyl]phenol Traditional Name: 5-chloro-2-[(E)-2-[4-[5-(4-pyridyl)pyrimidin-2-yl]piperazino]sulfonylvinyl]phenol Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C=CC4=C(C=C(C=C4)Cl)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)/C=C/C4=C(C=C(C=C4)Cl)O

InChI

InChI=1S/C21H20ClN5O3S/c22-19-2-1-17(20(28)13-19)5-12-31(29,30)27-10-8-26(9-11-27)21-24-14-18(15-25-21)16-3-6-23-7-4-16/h1-7,12-15,28H,8-11H2/b12-5+