[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-(4-mesylpiperazino)methanone Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H18N4O5S/c1-26(22,23)20-6-4-19(5-7-20)16(21)13-9-12(17-18-13)11-2-3-14-15(8-11)25-10-24-14/h2-3,8-9H,4-7,10H2,1H3,(H,17,18)