(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (6-isopropyl-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-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H28F3NO6S MolecularWeight: 551.57453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)C(C)C

InChI

InChI=1S/C27H28F3NO6S/c1-16(2)20-14-21-19(13-25(32)37-23(21)12-17(20)3)15-36-26(33)18-8-10-31(11-9-18)38(34,35)24-7-5-4-6-22(24)27(28,29)30/h4-7,12-14,16,18H,8-11,15H2,1-3H3