3-(1,3-benzodioxol-5-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-benzylsulfonylpiperazino)propan-1-one Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4

InChI

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