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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C)C

InChI

InChI=1S/C25H27NO6S/c1-16-4-9-22-20(12-24(27)32-23(22)11-16)15-31-25(28)19-5-7-21(8-6-19)33(29,30)26-13-17(2)10-18(3)14-26/h4-9,11-12,17-18H,10,13-15H2,1-3H3