1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O6S/c1-15(24)16-6-8-17(9-7-16)30(26,27)23-12-10-22(11-13-23)21(25)20-14-28-18-4-2-3-5-19(18)29-20/h2-9,20H,10-14H2,1H3