(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic 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)CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C25H27NO6S/c1-17-6-11-22-20(15-24(28)32-25(22)18(17)2)16-31-23(27)14-19-7-9-21(10-8-19)33(29,30)26-12-4-3-5-13-26/h6-11,15H,3-5,12-14,16H2,1-2H3