[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C20H30N2O8S MolecularWeight: 458.5258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C20H30N2O8S/c1-5-27-16-12-15(13-17(28-6-2)19(16)29-7-3)20(24)30-14-18(23)21-8-10-22(11-9-21)31(4,25)26/h12-13H,5-11,14H2,1-4H3