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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H22F3NO6S MolecularWeight: 509.49479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C24H22F3NO6S/c1-15-6-7-18-17(13-22(29)34-20(18)12-15)14-33-23(30)16-8-10-28(11-9-16)35(31,32)21-5-3-2-4-19(21)24(25,26)27/h2-7,12-13,16H,8-11,14H2,1H3