(4-methyl-2-oxidanylidene-chromen-7-yl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C)C

InChI

InChI=1S/C24H25NO6S/c1-15-10-16(2)14-25(13-15)32(28,29)20-7-4-18(5-8-20)24(27)30-19-6-9-21-17(3)11-23(26)31-22(21)12-19/h4-9,11-12,15-16H,10,13-14H2,1-3H3/t15-,16-/m1/s1