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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO6S/c1-14(2)21(23-30(26,27)17-7-5-4-6-8-17)22(25)28-13-16-12-20(24)29-19-11-15(3)9-10-18(16)19/h4-12,14,21,23H,13H2,1-3H3