(4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4,8-dimethyl-2-oxo-chromen-7-yl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (4,8-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4,8-dimethyl-2-oxochromen-7-yl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C23H22FNO6S MolecularWeight: 459.487283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FNO6S/c1-14-13-21(26)31-22-15(2)20(8-7-19(14)22)30-23(27)16-9-11-25(12-10-16)32(28,29)18-5-3-17(24)4-6-18/h3-8,13,16H,9-12H2,1-2H3