ethyl 4-[4-[3-(4-ethoxyphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[3-(4-ethoxyphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[3-(4-ethoxyphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[3-(4-ethoxyphenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(4-ethoxyphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[3-(4-ethoxyphenoxy)propanoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C24H30N2O7S/c1-3-31-20-7-9-21(10-8-20)33-18-13-23(27)25-14-16-26(17-15-25)34(29,30)22-11-5-19(6-12-22)24(28)32-4-2/h5-12H,3-4,13-18H2,1-2H3