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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-butoxybenzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O6S/c1-2-3-17-30-20-11-9-19(10-12-20)23(27)31-18-22(26)24-13-15-25(16-14-24)32(28,29)21-7-5-4-6-8-21/h4-12H,2-3,13-18H2,1H3