(4-methylpiperazin-1-yl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone CAS Name: (4-methyl-1-piperazinyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone Traditional Name: [6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]-(4-methylpiperazino)methanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

InChI

InChI=1S/C20H22N2O5S/c1-21-7-9-22(10-8-21)20(23)17-12-19-18(26-13-27-19)11-16(17)14-3-5-15(6-4-14)28(2,24)25/h3-6,11-12H,7-10,13H2,1-2H3