ethyl 4-[4-[2-(3-fluoranylphenoxy)ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(3-fluoranylphenoxy)ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(3-fluorophenoxy)ethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(3-fluorophenoxy)ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN2O5S/c1-2-28-21(25)17-6-8-20(9-7-17)30(26,27)24-12-10-23(11-13-24)14-15-29-19-5-3-4-18(22)16-19/h3-9,16H,2,10-15H2,1H3