[1-(3-benzamido-3-piperidin-1-ylcarbonyl-cyclobutyl)-2-dimethoxyphosphoryl-ethyl] methanesulfonate

Systemtic Name: [1-(3-benzamido-3-piperidin-1-ylcarbonyl-cyclobutyl)-2-dimethoxyphosphoryl-ethyl] methanesulfonate Openeye Name: [1-[3-benzamido-3-(piperidine-1-carbonyl)cyclobutyl]-2-dimethoxyphosphoryl-ethyl] methanesulfonate CAS Name: methanesulfonic acid [1-[3-benzamido-3-[oxo(1-piperidinyl)methyl]cyclobutyl]-2-dimethoxyphosphorylethyl] ester IUPAC Name: [1-[3-benzamido-3-(piperidine-1-carbonyl)cyclobutyl]-2-dimethoxyphosphorylethyl] methanesulfonate Traditional Name: methanesulfonic acid [1-[3-benzamido-3-(piperidine-1-carbonyl)cyclobutyl]-2-dimethoxyphosphoryl-ethyl] ester Formula: C22H33N2O8PS MolecularWeight: 516.544781

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC(C1CC(C1)(C(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C)OC

Isomeric SMILES

COP(=O)(CC(C1CC(C1)(C(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C)OC

InChI

InChI=1S/C22H33N2O8PS/c1-30-33(27,31-2)16-19(32-34(3,28)29)18-14-22(15-18,21(26)24-12-8-5-9-13-24)23-20(25)17-10-6-4-7-11-17/h4,6-7,10-11,18-19H,5,8-9,12-16H2,1-3H3,(H,23,25)