(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C26H29NO7S MolecularWeight: 499.57596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C26H29NO7S/c1-16(2)21-14-22-20(13-25(28)34-23(22)11-18(21)4)15-33-26(29)19-6-5-17(3)24(12-19)35(30,31)27-7-9-32-10-8-27/h5-6,11-14,16H,7-10,15H2,1-4H3