4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-(4-piperonylpiperazino)ethoxy]benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N3O5S/c21-29(24,25)18-4-2-17(3-5-18)26-12-11-22-7-9-23(10-8-22)14-16-1-6-19-20(13-16)28-15-27-19/h1-6,13H,7-12,14-15H2,(H2,21,24,25)