(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)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-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C26H29NO6S MolecularWeight: 483.57656

Click to see the large picture

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)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C26H29NO6S/c1-18-14-23-21(16-26(29)33-24(23)15-19(18)2)17-32-25(28)11-8-20-6-9-22(10-7-20)34(30,31)27-12-4-3-5-13-27/h6-7,9-10,14-16H,3-5,8,11-13,17H2,1-2H3