ethyl 4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(4-propoxybenzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-propoxybenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-propoxybenzoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C23H28N2O6S/c1-3-17-31-20-9-5-18(6-10-20)22(26)24-13-15-25(16-14-24)32(28,29)21-11-7-19(8-12-21)23(27)30-4-2/h5-12H,3-4,13-17H2,1-2H3