methyl 2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O7S/c1-28-21(25)15-6-2-5-9-19(15)31(26,27)23-12-10-22(11-13-23)20(24)18-14-29-16-7-3-4-8-17(16)30-18/h2-9,18H,10-14H2,1H3