(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-fluorophenyl)sulfonylamino]propanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-[(4-fluorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-fluorophenyl)sulfonylamino]propanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-[(4-fluorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-fluorophenyl)sulfonylamino]propionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H19FN2O7S MolecularWeight: 462.448163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O7S/c1-13(25)24-16-4-7-18-14(10-21(27)31-19(18)11-16)12-30-20(26)8-9-23-32(28,29)17-5-2-15(22)3-6-17/h2-7,10-11,23H,8-9,12H2,1H3,(H,24,25)