[4-[5-[[(1R,3S)-3-azanylcyclohexyl]carbamoyl]-2-(2,4-dichlorophenyl)-4-methyl-pyrazol-3-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate

Systemtic Name: [4-[5-[[(1R,3S)-3-azanylcyclohexyl]carbamoyl]-2-(2,4-dichlorophenyl)-4-methyl-pyrazol-3-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate Openeye Name: [4-[5-[[(1R,3S)-3-aminocyclohexyl]carbamoyl]-2-(2,4-dichlorophenyl)-4-methyl-pyrazol-3-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate CAS Name: 3,3,3-trifluoro-1-propanesulfonic acid IUPAC Name: [4-[5-[[(1R,3S)-3-aminocyclohexyl]carbamoyl]-2-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate Traditional Name: 3,3,3-trifluoropropane-1-sulfonic acid [4-[5-[[(1R,3S)-3-aminocyclohexyl]carbamoyl]-2-(2,4-dichlorophenyl)-4-methyl-pyrazol-3-yl]phenyl] ester Formula: C26H27Cl2F3N4O4S MolecularWeight: 619.48319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC2CCCC(C2)N)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F

Isomeric SMILES

CC1=C(N(N=C1C(=O)N[C@@H]2CCC[C@@H](C2)N)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F

InChI

InChI=1S/C26H27Cl2F3N4O4S/c1-15-23(25(36)33-19-4-2-3-18(32)14-19)34-35(22-10-7-17(27)13-21(22)28)24(15)16-5-8-20(9-6-16)39-40(37,38)12-11-26(29,30)31/h5-10,13,18-19H,2-4,11-12,14,32H2,1H3,(H,33,36)/t18-,19+/m0/s1