ethyl 5-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(2-hydroxy-5-methyl-benzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(2-hydroxy-5-methyl-benzoyl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)C)O

InChI

InChI=1S/C19H22N2O7S/c1-3-27-19(24)16-6-7-17(28-16)29(25,26)21-10-8-20(9-11-21)18(23)14-12-13(2)4-5-15(14)22/h4-7,12,22H,3,8-11H2,1-2H3