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

Systemtic Name: (4-butyl-2-oxidanylidene-chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-butyl-2-oxo-chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (4-butyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (4-butyl-2-keto-chromen-7-yl) ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6S/c1-3-4-5-17-14-23(26)30-21-15-18(8-11-20(17)21)29-22(25)12-13-24-31(27,28)19-9-6-16(2)7-10-19/h6-11,14-15,24H,3-5,12-13H2,1-2H3