(4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (4,7-dimethyl-2-oxo-chromen-5-yl) 3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-5-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 3-methyl-2-(tosylamino)valeric acid (2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC(=CC2=C1C(=CC(=O)O2)C)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC(=CC2=C1C(=CC(=O)O2)C)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H27NO6S/c1-6-16(4)23(25-32(28,29)18-9-7-14(2)8-10-18)24(27)31-20-12-15(3)11-19-22(20)17(5)13-21(26)30-19/h7-13,16,23,25H,6H2,1-5H3