(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C25H27NO6S/c1-16-8-10-21-20(14-23(27)32-24(21)18(16)3)15-31-25(28)19-9-7-17(2)22(13-19)33(29,30)26-11-5-4-6-12-26/h7-10,13-14H,4-6,11-12,15H2,1-3H3