[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-phenoxybenzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-phenoxybenzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c1-29(25,26)22-12-10-21(11-13-22)19(23)15-27-20(24)16-6-5-9-18(14-16)28-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3