(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H20N2O8S MolecularWeight: 460.4571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H20N2O8S/c1-13(24)22-15-3-6-17(7-4-15)32(28,29)23(2)11-21(27)30-12-14-9-20(26)31-19-10-16(25)5-8-18(14)19/h3-10,25H,11-12H2,1-2H3,(H,22,24)