(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6S/c1-16-6-7-23-22(14-25(29)34-24(23)12-16)15-33-27(30)21-8-10-28(11-9-21)35(31,32)26-19(4)17(2)13-18(3)20(26)5/h6-7,12-14,21H,8-11,15H2,1-5H3