N-[4-(cyanomethyl)phenyl]-2-[(4-iodophenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(4-iodophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(4-iodo-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(4-iodo-N-mesyl-anilino)acetamide Formula: C17H16IN3O3S MolecularWeight: 469.29671

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC=C(C=C2)I

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC=C(C=C2)I

InChI

InChI=1S/C17H16IN3O3S/c1-25(23,24)21(16-8-4-14(18)5-9-16)12-17(22)20-15-6-2-13(3-7-15)10-11-19/h2-9H,10,12H2,1H3,(H,20,22)