(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic 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 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H29NO6S/c1-15(2)20-13-21-18(12-23(27)32-22(21)11-17(20)5)14-31-25(28)24(16(3)4)26-33(29,30)19-9-7-6-8-10-19/h6-13,15-16,24,26H,14H2,1-5H3