1-[3-(3H-benzimidazol-5-yl)-2-(2-propylsulfonylphenoxy)-2-pyridin-2-yl-pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[3-(3H-benzimidazol-5-yl)-2-(2-propylsulfonylphenoxy)-2-pyridin-2-yl-pyrrolidin-1-yl]ethanone Openeye Name: 1-[3-(3H-benzimidazol-5-yl)-2-(2-propylsulfonylphenoxy)-2-(2-pyridyl)pyrrolidin-1-yl]ethanone CAS Name: 1-[3-(3H-benzimidazol-5-yl)-2-(2-propylsulfonylphenoxy)-2-(2-pyridinyl)-1-pyrrolidinyl]ethanone IUPAC Name: 1-[3-(3H-benzimidazol-5-yl)-2-(2-propylsulfonylphenoxy)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone Traditional Name: 1-[3-(3H-benzimidazol-5-yl)-2-(2-propylsulfonylphenoxy)-2-(2-pyridyl)pyrrolidino]ethanone Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1OC2(C(CCN2C(=O)C)C3=CC4=C(C=C3)N=CN4)C5=CC=CC=N5

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1OC2(C(CCN2C(=O)C)C3=CC4=C(C=C3)N=CN4)C5=CC=CC=N5

InChI

InChI=1S/C27H28N4O4S/c1-3-16-36(33,34)25-9-5-4-8-24(25)35-27(26-10-6-7-14-28-26)21(13-15-31(27)19(2)32)20-11-12-22-23(17-20)30-18-29-22/h4-12,14,17-18,21H,3,13,15-16H2,1-2H3,(H,29,30)