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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-1-(4-mesylpiperazino)ethanone Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)CC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)CC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H27N3O5S/c1-3-19(13-15-4-5-16-17(12-15)26-11-10-25-16)14-18(22)20-6-8-21(9-7-20)27(2,23)24/h4-5,12H,3,6-11,13-14H2,1-2H3