2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[2-(2,5-dimethoxyphenyl)pyrrolidino]ethanone Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O5S/c1-32-21-10-11-24(33-2)22(17-21)23-9-6-12-27(23)18-25(29)26-13-15-28(16-14-26)34(30,31)19-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,23H,6,9,12-16,18-19H2,1-2H3