5-[4-(4-bromophenyl)phenyl]sulfonyl-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzoic acid

Systemtic Name: 5-[4-(4-bromophenyl)phenyl]sulfonyl-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzoic acid Openeye Name: 5-[4-(4-bromophenyl)phenyl]sulfonyl-2-[4-(4-pyridyl)piperazine-1-carbonyl]benzoic acid CAS Name: 5-[4-(4-bromophenyl)phenyl]sulfonyl-2-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 5-[4-(4-bromophenyl)phenyl]sulfonyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoic acid Traditional Name: 5-[4-(4-bromophenyl)phenyl]sulfonyl-2-[4-(4-pyridyl)piperazine-1-carbonyl]benzoic acid Formula: C29H24BrN3O5S MolecularWeight: 606.48696

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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)C4=CC=C(C=C4)C5=CC=C(C=C5)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Br)C(=O)O

InChI

InChI=1S/C29H24BrN3O5S/c30-22-5-1-20(2-6-22)21-3-7-24(8-4-21)39(37,38)25-9-10-26(27(19-25)29(35)36)28(34)33-17-15-32(16-18-33)23-11-13-31-14-12-23/h1-14,19H,15-18H2,(H,35,36)