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

Systemtic Name: cyanomethyl 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate Openeye Name: cyanomethyl 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate Traditional Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetic acid cyanomethyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC#N

InChI

InChI=1S/C19H19N3O6S/c1-14(23)21-15-3-9-18(10-4-15)29(25,26)22(2)16-5-7-17(8-6-16)28-13-19(24)27-12-11-20/h3-10H,12-13H2,1-2H3,(H,21,23)