3-(3,4-dimethoxyphenyl)-5-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[1-(4-nitrophenyl)sulfonyl-3-piperidyl]-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[1-(4-nitrophenyl)sulfonyl-3-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-(1-nosyl-3-piperidyl)-1,2,4-oxadiazole Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O7S/c1-30-18-10-5-14(12-19(18)31-2)20-22-21(32-23-20)15-4-3-11-24(13-15)33(28,29)17-8-6-16(7-9-17)25(26)27/h5-10,12,15H,3-4,11,13H2,1-2H3