3-(4-bromophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole

Systemtic Name: 3-(4-bromophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole Openeye Name: 3-(4-bromophenyl)-5-[1-(8-quinolylsulfonyl)-3-piperidyl]-1,2,4-oxadiazole CAS Name: 3-(4-bromophenyl)-5-[1-(8-quinolinylsulfonyl)-3-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-bromophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole Traditional Name: 3-(4-bromophenyl)-5-[1-(8-quinolylsulfonyl)-3-piperidyl]-1,2,4-oxadiazole Formula: C22H19BrN4O3S MolecularWeight: 499.38026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=NC(=NO4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=NC(=NO4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H19BrN4O3S/c23-18-10-8-16(9-11-18)21-25-22(30-26-21)17-6-3-13-27(14-17)31(28,29)19-7-1-4-15-5-2-12-24-20(15)19/h1-2,4-5,7-12,17H,3,6,13-14H2