[4-chloranyl-2-[[(3R)-3-methyl-4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl] ethaneperoxoate

Systemtic Name: [4-chloranyl-2-[[(3R)-3-methyl-4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl] ethaneperoxoate Openeye Name: [2-[[(3R)-4-(benzenesulfonyl)-3-methyl-piperazin-1-yl]methyl]-4-chloro-phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [2-[[(3R)-4-(benzenesulfonyl)-3-methyl-1-piperazinyl]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[(3R)-4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl]-4-chlorophenyl] ethaneperoxoate Traditional Name: peracetic acid [2-[[(3R)-4-besyl-3-methyl-piperazino]methyl]-4-chloro-phenyl] ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)OOC(=O)C

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)OOC(=O)C

InChI

InChI=1S/C20H23ClN2O5S/c1-15-13-22(10-11-23(15)29(25,26)19-6-4-3-5-7-19)14-17-12-18(21)8-9-20(17)28-27-16(2)24/h3-9,12,15H,10-11,13-14H2,1-2H3/t15-/m1/s1