[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-(methoxymethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-(methoxymethyl)benzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 4-(methoxymethyl)benzoate CAS Name: 4-(methoxymethyl)benzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-(methoxymethyl)benzoate Traditional Name: 4-(methoxymethyl)benzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O6S/c1-28-15-17-7-9-18(10-8-17)21(25)29-16-20(24)22-11-13-23(14-12-22)30(26,27)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3