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

Systemtic Name: 3-(4-methoxyphenyl)-5-(1-octylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole Openeye Name: 3-(4-methoxyphenyl)-5-(1-octylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-(1-octylsulfonyl-2-pyrrolidinyl)-1,2,4-oxadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-(1-octylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole Traditional Name: 3-(4-methoxyphenyl)-5-(1-octylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCCC1C2=NC(=NO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCCC1C2=NC(=NO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H31N3O4S/c1-3-4-5-6-7-8-16-29(25,26)24-15-9-10-19(24)21-22-20(23-28-21)17-11-13-18(27-2)14-12-17/h11-14,19H,3-10,15-16H2,1-2H3