N-tert-butyl-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide

Systemtic Name: N-tert-butyl-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-tert-butyl-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-tert-butyl-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: N-tert-butyl-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)NC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H22FN3O3S/c1-21(2,3)24-20(26)14-25(17-9-7-16(22)8-10-17)29(27,28)19-6-4-5-15-13-23-12-11-18(15)19/h4-13H,14H2,1-3H3,(H,24,26)