methyl 4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]benzoate Openeye Name: methyl 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-(4-besylpiperazino)-2-keto-ethoxy]benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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