(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (7,8-dimethyl-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C26H29NO6S MolecularWeight: 483.57656

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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(=C4C)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4C)C)C

InChI

InChI=1S/C26H29NO6S/c1-16-11-17(2)14-27(13-16)34(30,31)22-8-6-20(7-9-22)26(29)32-15-21-12-24(28)33-25-19(4)18(3)5-10-23(21)25/h5-10,12,16-17H,11,13-15H2,1-4H3