[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 3-(furan-2-yl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 3-(furan-2-yl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-(2-furyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(2-furanyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-(furan-2-yl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(2-furyl)-1H-pyrazole-5-carboxylic acid [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC(=NN2)C3=CC=CO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC(=NN2)C3=CC=CO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O6S/c26-20(14-31-21(27)18-13-17(22-23-18)19-7-4-12-30-19)24-8-10-25(11-9-24)32(28,29)15-16-5-2-1-3-6-16/h1-7,12-13H,8-11,14-15H2,(H,22,23)