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

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-16(28-21(25)18-10-6-7-11-19(18)29(2,26)27)20(24)23-14-12-22(13-15-23)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1