2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 2-[4-(4-fluorophenyl)sulfonylpiperazino]ethyl ester Formula: C22H21FN2O6S MolecularWeight: 460.475343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O6S/c23-17-5-7-18(8-6-17)32(28,29)25-11-9-24(10-12-25)13-14-30-21(26)19-15-16-3-1-2-4-20(16)31-22(19)27/h1-8,15H,9-14H2