(4-methyl-2-oxidanylidene-chromen-7-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C23H20F3NO6S MolecularWeight: 495.46821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H20F3NO6S/c1-14-12-21(28)33-19-13-16(6-7-17(14)19)32-22(29)15-8-10-27(11-9-15)34(30,31)20-5-3-2-4-18(20)23(24,25)26/h2-7,12-13,15H,8-11H2,1H3