[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-oxidanyl-benzoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-oxidanyl-benzoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-hydroxy-5-morpholinosulfonyl-benzoate CAS Name: 2-hydroxy-5-(4-morpholinylsulfonyl)benzoic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-morpholinosulfonyl-benzoic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C22H25N3O9S MolecularWeight: 507.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H25N3O9S/c26-18-4-3-16(35(30,31)25-9-12-32-13-10-25)14-17(18)22(29)34-15-20(27)23-5-7-24(8-6-23)21(28)19-2-1-11-33-19/h1-4,11,14,26H,5-10,12-13,15H2