sorafenib tosylate

CAS: 475207-59-1

Formula: C28H24ClF3N4O6S

SMILES: CC1=CC=C(C=C1)S(O)(=O)=O.CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=C1

IUPAC: 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide; 4-methylbenzene-1-sulfonic acid

InChI: InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)

Composition: C (52.79%), H (3.80%), Cl (5.56%), F (8.95%), N (8.80%), O (15.07%), S (5.03%)

Molar Mass: 637.03

Atom Count: 67

Heavy Atom Count: 43