ethyl 4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(benzofuran-2-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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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=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O6S/c1-2-29-22(26)16-7-9-18(10-8-16)31(27,28)24-13-11-23(12-14-24)21(25)20-15-17-5-3-4-6-19(17)30-20/h3-10,15H,2,11-14H2,1H3