[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(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] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C22H24BrN3O8S MolecularWeight: 570.41026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O8S/c23-17-4-3-16(14-19(17)35(30,31)26-9-12-32-13-10-26)22(29)34-15-20(27)24-5-7-25(8-6-24)21(28)18-2-1-11-33-18/h1-4,11,14H,5-10,12-13,15H2