methyl 2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate Traditional Name: 2-(4-besylpiperazino)acetic acid methyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2O4S/c1-19-13(16)11-14-7-9-15(10-8-14)20(17,18)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3