1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-(4-mesylpiperazino)ethanone Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H27N3O5S/c1-28(24,25)21-9-7-20(8-10-21)14-19(23)22-6-2-3-16(22)15-4-5-17-18(13-15)27-12-11-26-17/h4-5,13,16H,2-3,6-12,14H2,1H3