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

Systemtic Name: (4-cyanophenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-cyanophenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (4-cyanophenyl) ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H17N3O5S/c1-13(22)20-15-5-9-17(10-6-15)27(24,25)21(2)12-18(23)26-16-7-3-14(11-19)4-8-16/h3-10H,12H2,1-2H3,(H,20,22)