[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]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-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C22H20BrN3O7S2 MolecularWeight: 582.4441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Br)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Br)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H20BrN3O7S2/c23-18-7-8-20(34-18)35(30,31)24-16-5-2-1-4-15(16)22(29)33-14-19(27)25-9-11-26(12-10-25)21(28)17-6-3-13-32-17/h1-8,13,24H,9-12,14H2