4-[4-[4-(1-pyridin-4-ylpiperidin-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]benzoic acid

Systemtic Name: 4-[4-[4-(1-pyridin-4-ylpiperidin-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]benzoic acid Openeye Name: 4-[4-[4-[1-(4-pyridyl)piperidine-4-carbonyl]piperazin-1-yl]sulfonylphenyl]benzoic acid CAS Name: 4-[4-[[4-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazinyl]sulfonyl]phenyl]benzoic acid IUPAC Name: 4-[4-[4-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]benzoic acid Traditional Name: 4-[4-[4-[1-(4-pyridyl)isonipecotoyl]piperazino]sulfonylphenyl]benzoic acid Formula: C28H30N4O5S MolecularWeight: 534.6266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C28H30N4O5S/c33-27(23-11-15-30(16-12-23)25-9-13-29-14-10-25)31-17-19-32(20-18-31)38(36,37)26-7-5-22(6-8-26)21-1-3-24(4-2-21)28(34)35/h1-10,13-14,23H,11-12,15-20H2,(H,34,35)