[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 1-indan-5-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C24H27FN2O5S MolecularWeight: 474.544983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN2O5S/c25-21-7-4-17(5-8-21)15-26-23(28)16-32-24(29)19-10-12-27(13-11-19)33(30,31)22-9-6-18-2-1-3-20(18)14-22/h4-9,14,19H,1-3,10-13,15-16H2,(H,26,28)