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

Systemtic Name: (4-methyl-2-oxidanylidene-3-propyl-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (4-methyl-2-oxo-3-propyl-chromen-7-yl) 2-(p-tolylsulfonylamino)pentanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-methyl-2-oxo-3-propyl-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxo-3-propylchromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 2-(tosylamino)valeric acid (2-keto-4-methyl-3-propyl-chromen-7-yl) ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2)OC(=O)C(CCC)NS(=O)(=O)C3=CC=C(C=C3)C)OC1=O)C

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2)OC(=O)C(CCC)NS(=O)(=O)C3=CC=C(C=C3)C)OC1=O)C

InChI

InChI=1S/C25H29NO6S/c1-5-7-21-17(4)20-14-11-18(15-23(20)32-24(21)27)31-25(28)22(8-6-2)26-33(29,30)19-12-9-16(3)10-13-19/h9-15,22,26H,5-8H2,1-4H3