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

Systemtic Name: 2-(4-methoxyphenyl)ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: 2-(4-methoxyphenyl)ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid 2-(4-methoxyphenyl)ethyl ester Formula: C26H27FN2O5S MolecularWeight: 498.566383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)CCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN2O5S/c1-33-24-11-5-20(6-12-24)13-18-34-26(30)21-3-2-4-25(19-21)35(31,32)29-16-14-28(15-17-29)23-9-7-22(27)8-10-23/h2-12,19H,13-18H2,1H3