4-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[[4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridyl)-1H-imidazol-2-yl]-1-piperidyl]sulfonyl]benzoic acid CAS Name: 4-[[4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridyl)-1H-imidazol-2-yl]piperidino]sulfonylbenzoic acid Formula: C27H24N4O6S MolecularWeight: 532.56766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=C(N2)C3=CC=CC=N3)C4=CC5=C(C=C4)OCO5)S(=O)(=O)C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC(=C(N2)C3=CC=CC=N3)C4=CC5=C(C=C4)OCO5)S(=O)(=O)C6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C27H24N4O6S/c32-27(33)18-4-7-20(8-5-18)38(34,35)31-13-10-17(11-14-31)26-29-24(25(30-26)21-3-1-2-12-28-21)19-6-9-22-23(15-19)37-16-36-22/h1-9,12,15,17H,10-11,13-14,16H2,(H,29,30)(H,32,33)