ethyl 4-[4-(2,4,5-trimethylfuran-3-yl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2,4,5-trimethylfuran-3-yl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-(2,4,5-trimethyl-3-furanyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2,4,5-trimethyl-3-furoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(OC(=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(OC(=C3C)C)C

InChI

InChI=1S/C21H26N2O6S/c1-5-28-21(25)17-6-8-18(9-7-17)30(26,27)23-12-10-22(11-13-23)20(24)19-14(2)15(3)29-16(19)4/h6-9H,5,10-13H2,1-4H3