[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: 1-[(4-fluorophenyl)carbamoyl]propyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxobutan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid 1-[(4-fluorophenyl)carbamoyl]propyl ester Formula: C17H23FN2O5S MolecularWeight: 386.438323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H23FN2O5S/c1-3-15(16(21)19-14-6-4-13(18)5-7-14)25-17(22)12-8-10-20(11-9-12)26(2,23)24/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,21)