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

Systemtic Name: (4-butyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (4-butyl-2-oxo-chromen-7-yl) 3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-butyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-2-oxochromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 3-methyl-2-(tosylamino)valeric acid (4-butyl-2-keto-chromen-7-yl) ester Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO6S/c1-5-7-8-19-15-24(28)33-23-16-20(11-14-22(19)23)32-26(29)25(18(4)6-2)27-34(30,31)21-12-9-17(3)10-13-21/h9-16,18,25,27H,5-8H2,1-4H3