5-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-6-(pyrrolidin-1-ylmethyl)-1H-benzimidazole

Systemtic Name: 5-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-6-(pyrrolidin-1-ylmethyl)-1H-benzimidazole Openeye Name: 5-(4-ethylsulfonylphenoxy)-2-(2-pyridyl)-6-(pyrrolidin-1-ylmethyl)-1H-benzimidazole CAS Name: 5-(4-ethylsulfonylphenoxy)-2-(2-pyridinyl)-6-(1-pyrrolidinylmethyl)-1H-benzimidazole IUPAC Name: 5-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-6-(pyrrolidin-1-ylmethyl)-1H-benzimidazole Traditional Name: 5-(4-esylphenoxy)-2-(2-pyridyl)-6-(pyrrolidinomethyl)-1H-benzimidazole Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)OC2=CC3=C(C=C2CN4CCCC4)NC(=N3)C5=CC=CC=N5

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)OC2=CC3=C(C=C2CN4CCCC4)NC(=N3)C5=CC=CC=N5

InChI

InChI=1S/C25H26N4O3S/c1-2-33(30,31)20-10-8-19(9-11-20)32-24-16-23-22(15-18(24)17-29-13-5-6-14-29)27-25(28-23)21-7-3-4-12-26-21/h3-4,7-12,15-16H,2,5-6,13-14,17H2,1H3,(H,27,28)