[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H20BrN3O5S MolecularWeight: 458.3268

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H20BrN3O5S/c1-2-27(23,24)21-8-6-12(7-9-21)17(22)25-11-15-19-16(20-26-15)13-4-3-5-14(18)10-13/h3-5,10,12H,2,6-9,11H2,1H3