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

Systemtic Name: cyanomethyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: cyanomethyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid cyanomethyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5S/c1-10(17)15-11-3-5-12(6-4-11)22(19,20)16(2)9-13(18)21-8-7-14/h3-6H,8-9H2,1-2H3,(H,15,17)