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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-(4-piperonylpiperazino)sulfonylisoquinoline Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C21H21N3O4S/c25-29(26,21-3-1-2-17-13-22-7-6-18(17)21)24-10-8-23(9-11-24)14-16-4-5-19-20(12-16)28-15-27-19/h1-7,12-13H,8-11,14-15H2