methyl 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylmethyl]benzoate Openeye Name: methyl 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylmethyl]benzoate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylmethyl]benzoate Traditional Name: 4-[(4-piperonylpiperazino)sulfonylmethyl]benzoic acid methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O6S/c1-27-21(24)18-5-2-16(3-6-18)14-30(25,26)23-10-8-22(9-11-23)13-17-4-7-19-20(12-17)29-15-28-19/h2-7,12H,8-11,13-15H2,1H3