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

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

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H27NO6S/c1-18-5-11-22-20(16-25(28)32-23(22)15-18)17-31-24(27)12-8-19-6-9-21(10-7-19)33(29,30)26-13-3-2-4-14-26/h5-7,9-11,15-16H,2-4,8,12-14,17H2,1H3