4-isoquinolin-5-ylsulfonyl-5-(trifluoromethyl)benzene-1,2-diamine

Systemtic Name: 4-isoquinolin-5-ylsulfonyl-5-(trifluoromethyl)benzene-1,2-diamine Openeye Name: 4-(5-isoquinolylsulfonyl)-5-(trifluoromethyl)benzene-1,2-diamine CAS Name: 4-(5-isoquinolinylsulfonyl)-5-(trifluoromethyl)benzene-1,2-diamine IUPAC Name: 4-isoquinolin-5-ylsulfonyl-5-(trifluoromethyl)benzene-1,2-diamine Traditional Name: [2-amino-4-(5-isoquinolylsulfonyl)-5-(trifluoromethyl)phenyl]amine Formula: C16H12F3N3O2S MolecularWeight: 367.34559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C3=CC(=C(C=C3C(F)(F)F)N)N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C3=CC(=C(C=C3C(F)(F)F)N)N

InChI

InChI=1S/C16H12F3N3O2S/c17-16(18,19)11-6-12(20)13(21)7-15(11)25(23,24)14-3-1-2-9-8-22-5-4-10(9)14/h1-8H,20-21H2