(4-propanoylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (4-propanoylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-propanoylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (4-propionylphenyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-4-19(24)15-5-9-17(10-6-15)28-20(25)13-22(3)29(26,27)18-11-7-16(8-12-18)21-14(2)23/h5-12H,4,13H2,1-3H3,(H,21,23)