(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C24H24BrNO6S MolecularWeight: 534.41946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C24H24BrNO6S/c25-19-7-10-21-18(14-24(28)32-22(21)15-19)16-31-23(27)11-6-17-4-8-20(9-5-17)33(29,30)26-12-2-1-3-13-26/h4-5,7-10,14-15H,1-3,6,11-13,16H2