5-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzoic acid

Systemtic Name: 5-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzoic acid Openeye Name: 5-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-2-[4-(4-pyridyl)piperazine-1-carbonyl]benzoic acid CAS Name: 5-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 5-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoic acid Traditional Name: 5-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-2-[4-(4-pyridyl)piperazine-1-carbonyl]benzoic acid Formula: C25H22ClN3O5S MolecularWeight: 511.97728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C=CC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)/C=C/C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C25H22ClN3O5S/c26-19-3-1-18(2-4-19)9-16-35(33,34)21-5-6-22(23(17-21)25(31)32)24(30)29-14-12-28(13-15-29)20-7-10-27-11-8-20/h1-11,16-17H,12-15H2,(H,31,32)/b16-9+