[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c1-28(25,26)18-10-6-5-9-17(18)20(24)27-15-19(23)22-13-11-21(12-14-22)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3