[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C23H28N2O5S/c1-18(30-23(27)21-10-8-20(9-11-21)17-31(2,28)29)22(26)25-14-12-24(13-15-25)16-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3