6-[6-(1-ethanoylpyrrolidin-2-yl)-5-(4-methylsulfonylphenoxy)-1H-benzimidazol-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[6-(1-ethanoylpyrrolidin-2-yl)-5-(4-methylsulfonylphenoxy)-1H-benzimidazol-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[6-(1-acetylpyrrolidin-2-yl)-5-(4-methylsulfonylphenoxy)-1H-benzimidazol-2-yl]pyridine-3-carboxylic acid CAS Name: 6-[6-(1-acetyl-2-pyrrolidinyl)-5-(4-methylsulfonylphenoxy)-1H-benzimidazol-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[6-(1-acetylpyrrolidin-2-yl)-5-(4-methylsulfonylphenoxy)-1H-benzimidazol-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[6-(1-acetylpyrrolidin-2-yl)-5-(4-mesylphenoxy)-1H-benzimidazol-2-yl]nicotinic acid Formula: C26H24N4O6S MolecularWeight: 520.55696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1C2=CC3=C(C=C2OC4=CC=C(C=C4)S(=O)(=O)C)N=C(N3)C5=NC=C(C=C5)C(=O)O

Isomeric SMILES

CC(=O)N1CCCC1C2=CC3=C(C=C2OC4=CC=C(C=C4)S(=O)(=O)C)N=C(N3)C5=NC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H24N4O6S/c1-15(31)30-11-3-4-23(30)19-12-21-22(29-25(28-21)20-10-5-16(14-27-20)26(32)33)13-24(19)36-17-6-8-18(9-7-17)37(2,34)35/h5-10,12-14,23H,3-4,11H2,1-2H3,(H,28,29)(H,32,33)