ethyl 4-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(4-acetylphenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-acetylphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-acetylphenyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-3-28-21(25)18-6-10-20(11-7-18)29(26,27)23-14-12-22(13-15-23)19-8-4-17(5-9-19)16(2)24/h4-11H,3,12-15H2,1-2H3