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

Systemtic Name: (4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (4-butyl-7-methyl-2-oxo-chromen-5-yl) 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-butyl-7-methyl-2-oxochromen-5-yl) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(tosylamino)valeric acid (4-butyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C27H33NO6S MolecularWeight: 499.61902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CC(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CC(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H33NO6S/c1-6-7-8-20-16-25(29)33-23-14-19(5)15-24(26(20)23)34-27(30)22(13-17(2)3)28-35(31,32)21-11-9-18(4)10-12-21/h9-12,14-17,22,28H,6-8,13H2,1-5H3