ethyl 4-[4-(2,3-dihydro-1,4-dioxin-5-ylcarbonyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2,3-dihydro-1,4-dioxin-5-ylcarbonyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2,3-dihydro-p-dioxin-5-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=COCCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=COCCO3

InChI

InChI=1S/C18H22N2O7S/c1-2-26-18(22)14-3-5-15(6-4-14)28(23,24)20-9-7-19(8-10-20)17(21)16-13-25-11-12-27-16/h3-6,13H,2,7-12H2,1H3