1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-(4-piperonylpiperazino)propan-1-one Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N2O5S/c24-21(8-13-29(25,26)18-4-2-1-3-5-18)23-11-9-22(10-12-23)15-17-6-7-19-20(14-17)28-16-27-19/h1-7,14H,8-13,15-16H2