6-tert-butylsulfonyl-4-[(5-fluoranylpyridin-3-yl)amino]cinnoline-3-carboxamide

Systemtic Name: 6-tert-butylsulfonyl-4-[(5-fluoranylpyridin-3-yl)amino]cinnoline-3-carboxamide Openeye Name: 6-tert-butylsulfonyl-4-[(5-fluoro-3-pyridyl)amino]cinnoline-3-carboxamide CAS Name: 6-tert-butylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-3-cinnolinecarboxamide IUPAC Name: 6-tert-butylsulfonyl-4-[(5-fluoropyridin-3-yl)amino]cinnoline-3-carboxamide Traditional Name: 6-tert-butylsulfonyl-4-[(5-fluoro-3-pyridyl)amino]cinnoline-3-carboxamide Formula: C18H18FN5O3S MolecularWeight: 403.430623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C1=CC2=C(C=C1)N=NC(=C2NC3=CC(=CN=C3)F)C(=O)N

Isomeric SMILES

CC(C)(C)S(=O)(=O)C1=CC2=C(C=C1)N=NC(=C2NC3=CC(=CN=C3)F)C(=O)N

InChI

InChI=1S/C18H18FN5O3S/c1-18(2,3)28(26,27)12-4-5-14-13(7-12)15(16(17(20)25)24-23-14)22-11-6-10(19)8-21-9-11/h4-9H,1-3H3,(H2,20,25)(H,22,23)