[2-(2-azanylethyl)-6-piperazin-1-ylcarbonyl-1,3-benzodioxol-5-yl] 5-(1,2-dithiolan-3-yl)pentanoate

Systemtic Name: [2-(2-azanylethyl)-6-piperazin-1-ylcarbonyl-1,3-benzodioxol-5-yl] 5-(1,2-dithiolan-3-yl)pentanoate Openeye Name: [2-(2-aminoethyl)-6-(piperazine-1-carbonyl)-1,3-benzodioxol-5-yl] 5-(dithiolan-3-yl)pentanoate CAS Name: 5-(3-dithiolanyl)pentanoic acid [2-(2-aminoethyl)-6-[oxo(1-piperazinyl)methyl]-1,3-benzodioxol-5-yl] ester IUPAC Name: [2-(2-aminoethyl)-6-(piperazine-1-carbonyl)-1,3-benzodioxol-5-yl] 5-(dithiolan-3-yl)pentanoate Traditional Name: 5-(dithiolan-3-yl)valeric acid [2-(2-aminoethyl)-6-(piperazine-1-carbonyl)-1,3-benzodioxol-5-yl] ester Formula: C22H31N3O5S2 MolecularWeight: 481.62864

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OC2=CC3=C(C=C2C(=O)N4CCNCC4)OC(O3)CCN

Isomeric SMILES

C1CSSC1CCCCC(=O)OC2=CC3=C(C=C2C(=O)N4CCNCC4)OC(O3)CCN

InChI

InChI=1S/C22H31N3O5S2/c23-7-5-21-29-18-13-16(22(27)25-10-8-24-9-11-25)17(14-19(18)30-21)28-20(26)4-2-1-3-15-6-12-31-32-15/h13-15,21,24H,1-12,23H2