(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C25H27NO7S MolecularWeight: 485.54938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C25H27NO7S/c1-17-13-22-20(15-25(28)33-23(22)14-18(17)2)16-32-24(27)8-5-19-3-6-21(7-4-19)34(29,30)26-9-11-31-12-10-26/h3-4,6-7,13-15H,5,8-12,16H2,1-2H3