1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone Openeye Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone CAS Name: 1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-[2-(methylsulfonylmethyl)-1-benzimidazolyl]ethanone IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone Traditional Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-[2-(mesylmethyl)benzimidazol-1-yl]ethanone Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CN3C4=CC=CC=C4N=C3CS(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CN3C4=CC=CC=C4N=C3CS(=O)(=O)C

InChI

InChI=1S/C23H27N3O5S/c1-30-16-10-11-21(31-2)17(13-16)19-9-6-12-25(19)23(27)14-26-20-8-5-4-7-18(20)24-22(26)15-32(3,28)29/h4-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-3H3