[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H21ClFN3O5S MolecularWeight: 469.914243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21ClFN3O5S/c1-13(19(26)24-18-7-2-15(21)12-23-18)30-20(27)14-8-10-25(11-9-14)31(28,29)17-5-3-16(22)4-6-17/h2-7,12-14H,8-11H2,1H3,(H,23,24,26)