[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C28H25FN4O6S MolecularWeight: 564.584703

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5)F

InChI

InChI=1S/C28H25FN4O6S/c29-23-12-11-21(17-25(23)40(36,37)32-13-15-38-16-14-32)28(35)39-19-27(34)30-26-18-24(20-7-3-1-4-8-20)31-33(26)22-9-5-2-6-10-22/h1-12,17-18H,13-16,19H2,(H,30,34)