ethyl 4-[4-(5-methylfuran-2-yl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(5-methylfuran-2-yl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(5-methyl-2-furanyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(5-methyl-2-furoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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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=CC=C(O3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)C

InChI

InChI=1S/C19H22N2O6S/c1-3-26-19(23)15-5-7-16(8-6-15)28(24,25)21-12-10-20(11-13-21)18(22)17-9-4-14(2)27-17/h4-9H,3,10-13H2,1-2H3