(1-methylcyclopropyl) 4-[[5-fluoranyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: (1-methylcyclopropyl) 4-[[5-fluoranyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: (1-methylcyclopropyl) 4-[[5-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-3-pyridyl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-fluoro-6-(4-methylsulfonyl-1-piperazinyl)-3-pyridinyl]oxymethyl]-1-piperidinecarboxylic acid (1-methylcyclopropyl) ester IUPAC Name: (1-methylcyclopropyl) 4-[[5-fluoro-6-(4-methylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-fluoro-6-(4-mesylpiperazino)-3-pyridyl]oxymethyl]piperidine-1-carboxylic acid (1-methylcyclopropyl) ester Formula: C21H31FN4O5S MolecularWeight: 470.558043

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)OC(=O)N2CCC(CC2)COC3=CC(=C(N=C3)N4CCN(CC4)S(=O)(=O)C)F

Isomeric SMILES

CC1(CC1)OC(=O)N2CCC(CC2)COC3=CC(=C(N=C3)N4CCN(CC4)S(=O)(=O)C)F

InChI

InChI=1S/C21H31FN4O5S/c1-21(5-6-21)31-20(27)25-7-3-16(4-8-25)15-30-17-13-18(22)19(23-14-17)24-9-11-26(12-10-24)32(2,28)29/h13-14,16H,3-12,15H2,1-2H3