(phenylmethyl) 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate

Systemtic Name: (phenylmethyl) 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate Openeye Name: benzyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-(4-besylpiperazino)-4-keto-butyric acid benzyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c24-20(11-12-21(25)28-17-18-7-3-1-4-8-18)22-13-15-23(16-14-22)29(26,27)19-9-5-2-6-10-19/h1-10H,11-17H2