3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylpropane-1-thiol

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylpropane-1-thiol Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylpropane-1-thiol CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-1-propanethiol IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylpropane-1-thiol Traditional Name: 3-(4-piperonylpiperazino)sulfonylpropane-1-thiol Formula: C15H22N2O4S2 MolecularWeight: 358.47618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CCCS

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CCCS

InChI

InChI=1S/C15H22N2O4S2/c18-23(19,9-1-8-22)17-6-4-16(5-7-17)11-13-2-3-14-15(10-13)21-12-20-14/h2-3,10,22H,1,4-9,11-12H2