3-(3-methoxyphenyl)-5-(1-octylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

Systemtic Name: 3-(3-methoxyphenyl)-5-(1-octylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole Openeye Name: 3-(3-methoxyphenyl)-5-(1-octylsulfonyl-4-piperidyl)-1,2,4-oxadiazole CAS Name: 3-(3-methoxyphenyl)-5-(1-octylsulfonyl-4-piperidinyl)-1,2,4-oxadiazole IUPAC Name: 3-(3-methoxyphenyl)-5-(1-octylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole Traditional Name: 3-(3-methoxyphenyl)-5-(1-octylsulfonyl-4-piperidyl)-1,2,4-oxadiazole Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCC(CC1)C2=NC(=NO2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCC(CC1)C2=NC(=NO2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H33N3O4S/c1-3-4-5-6-7-8-16-30(26,27)25-14-12-18(13-15-25)22-23-21(24-29-22)19-10-9-11-20(17-19)28-2/h9-11,17-18H,3-8,12-16H2,1-2H3