[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C18H23FN2O5S MolecularWeight: 398.449023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC(C2=CC=C(C=C2)F)C(=O)NC3CC3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OC(C2=CC=C(C=C2)F)C(=O)NC3CC3

InChI

InChI=1S/C18H23FN2O5S/c1-27(24,25)21-10-8-13(9-11-21)18(23)26-16(17(22)20-15-6-7-15)12-2-4-14(19)5-3-12/h2-5,13,15-16H,6-11H2,1H3,(H,20,22)