5-chloro-N-(2-{4-[({[(1,2,2,3,3,4,4,5,5,6,6-²H??)cyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-2-methoxybenzamide

CAS: 1189985-02-1

Formula: C23H28ClN3O5S

SMILES: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(NC(=O)NS(=O)(=O)C2=CC=C(CCNC(=O)C3=C(OC)C=CC(Cl)=C3)C=C2)C([2H])([2H])C1([2H])[2H]

IUPAC: 5-chloro-N-(2-{4-[({[(1,2,2,3,3,4,4,5,5,6,6-²H??)cyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-2-methoxybenzamide

InChI: InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)/i2D2,3D2,4D2,5D2,6D2,18D

Composition: C (54.70%), H (3.39%), [2H] (4.39%), Cl (7.02%), N (8.32%), O (15.84%), S (6.35%)

Molar Mass: 505.07

Atom Count: 61

Heavy Atom Count: 33