(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (4-butyl-8-methyl-2-oxo-chromen-7-yl) 3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-8-methyl-2-oxochromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 3-methyl-2-(tosylamino)valeric acid (4-butyl-2-keto-8-methyl-chromen-7-yl) ester Formula: C27H33NO6S MolecularWeight: 499.61902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(C(C)CC)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(C(C)CC)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H33NO6S/c1-6-8-9-20-16-24(29)34-26-19(5)23(15-14-22(20)26)33-27(30)25(18(4)7-2)28-35(31,32)21-12-10-17(3)11-13-21/h10-16,18,25,28H,6-9H2,1-5H3