ethyl 5-[4-[2-(3-ethylphenoxy)ethanoyl]piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-[2-(3-ethylphenoxy)ethanoyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-[2-(3-ethylphenoxy)acetyl]piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[2-(3-ethylphenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(3-ethylphenoxy)acetyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[2-(3-ethylphenoxy)acetyl]piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(O3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(O3)C(=O)OCC

InChI

InChI=1S/C21H26N2O7S/c1-3-16-6-5-7-17(14-16)29-15-19(24)22-10-12-23(13-11-22)31(26,27)20-9-8-18(30-20)21(25)28-4-2/h5-9,14H,3-4,10-13,15H2,1-2H3