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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H22N2O7S/c1-14-3-8-19-16(12-22(27)31-20(19)11-14)13-30-21(26)9-10-23-32(28,29)18-6-4-17(5-7-18)24-15(2)25/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,24,25)