(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-chloro-3-(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-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H21ClF3NO6S MolecularWeight: 543.93985

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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(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClF3NO6S/c1-14-2-4-18-16(11-22(30)35-21(18)10-14)13-34-23(31)15-6-8-29(9-7-15)36(32,33)17-3-5-20(25)19(12-17)24(26,27)28/h2-5,10-12,15H,6-9,13H2,1H3