[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate; methanesulfonic acid

Systemtic Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate; methanesulfonic acid Openeye Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(1-piperidylcarbamoyl)pyrazol-3-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate; methanesulfonic acid CAS Name: methanesulfonic acid; 3,3,3-trifluoro-1-propanesulfonic acid IUPAC Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate; methanesulfonic acid Traditional Name: mesylic acid; 3,3,3-trifluoropropane-1-sulfonic acid [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidinocarbamoyl)pyrazol-3-yl]phenyl] ester Formula: C26H29Cl2F3N4O7S2 MolecularWeight: 701.56227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F.CS(=O)(=O)O

Isomeric SMILES

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F.CS(=O)(=O)O

InChI

InChI=1S/C25H25Cl2F3N4O4S.CH4O3S/c1-16-22(24(35)32-33-12-3-2-4-13-33)31-34(21-10-7-18(26)15-20(21)27)23(16)17-5-8-19(9-6-17)38-39(36,37)14-11-25(28,29)30;1-5(2,3)4/h5-10,15H,2-4,11-14H2,1H3,(H,32,35);1H3,(H,2,3,4)