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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN(CC1COC2=CC=CC=C2O1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N3O5S2/c1-2-22(14-17-16-28-18-6-3-4-7-19(18)29-17)15-20(25)23-9-11-24(12-10-23)31(26,27)21-8-5-13-30-21/h3-8,13,17H,2,9-12,14-16H2,1H3