3-(1,3-benzodioxol-5-yl)-5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-1,2,4-oxadiazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-1,2,4-oxadiazole Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O6S/c1-27-16-3-5-17(6-4-16)31(25,26)24-10-8-14(9-11-24)21-22-20(23-30-21)15-2-7-18-19(12-15)29-13-28-18/h2-7,12,14H,8-11,13H2,1H3