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

Systemtic Name: (2-methoxyphenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (2-methoxyphenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (2-methoxyphenyl)methyl ester IUPAC Name: (2-methoxyphenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid o-anisyl ester Formula: C25H25FN2O5S MolecularWeight: 484.539803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O5S/c1-32-24-8-3-2-5-20(24)18-33-25(29)19-6-4-7-23(17-19)34(30,31)28-15-13-27(14-16-28)22-11-9-21(26)10-12-22/h2-12,17H,13-16,18H2,1H3