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

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-[(2-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-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid [2-[(2-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=CC=C4F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)NCC4=CC=CC=C4F

InChI

InChI=1S/C24H27FN2O5S/c25-22-7-2-1-4-20(22)15-26-23(28)16-32-24(29)18-10-12-27(13-11-18)33(30,31)21-9-8-17-5-3-6-19(17)14-21/h1-2,4,7-9,14,18H,3,5-6,10-13,15-16H2,(H,26,28)