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

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(benzenesulfonyl)cyclopentanecarboxylate CAS Name: 1-(benzenesulfonyl)-1-cyclopentanecarboxylic 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-(benzenesulfonyl)cyclopentane-1-carboxylate Traditional Name: 1-besylcyclopentanecarboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19BrN2O5S/c22-16-8-6-7-15(13-16)19-23-18(29-24-19)14-28-20(25)21(11-4-5-12-21)30(26,27)17-9-2-1-3-10-17/h1-3,6-10,13H,4-5,11-12,14H2