[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] propyl carbonate; methanesulfonic acid

Systemtic Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] propyl carbonate; methanesulfonic acid Openeye Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(1-piperidylcarbamoyl)pyrazol-3-yl]phenyl] propyl carbonate; methanesulfonic acid CAS Name: carbonic acid [4-[2-(2,4-dichlorophenyl)-4-methyl-5-[oxo-(1-piperidinylamino)methyl]-3-pyrazolyl]phenyl] propyl ester; methanesulfonic acid IUPAC Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] propyl carbonate; methanesulfonic acid Traditional Name: carbonic acid [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidinocarbamoyl)pyrazol-3-yl]phenyl] propyl ester; mesylic acid Formula: C27H32Cl2N4O7S MolecularWeight: 627.53658

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCC4)C.CS(=O)(=O)O

Isomeric SMILES

CCCOC(=O)OC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCC4)C.CS(=O)(=O)O

InChI

InChI=1S/C26H28Cl2N4O4.CH4O3S/c1-3-15-35-26(34)36-20-10-7-18(8-11-20)24-17(2)23(25(33)30-31-13-5-4-6-14-31)29-32(24)22-12-9-19(27)16-21(22)28;1-5(2,3)4/h7-12,16H,3-6,13-15H2,1-2H3,(H,30,33);1H3,(H,2,3,4)