(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C24H25NO7S MolecularWeight: 471.5228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)O

InChI

InChI=1S/C24H25NO7S/c1-16-21(26)10-9-20-18(14-23(28)32-24(16)20)15-31-22(27)11-6-17-4-7-19(8-5-17)33(29,30)25-12-2-3-13-25/h4-5,7-10,14,26H,2-3,6,11-13,15H2,1H3