3-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-[5-(m-tolyl)-1,2,4-oxadiazol-3-yl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[5-(m-tolyl)-1,2,4-oxadiazol-3-yl]piperidino]sulfonylbenzonitrile Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NO2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NO2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H20N4O3S/c1-15-4-2-6-18(12-15)21-23-20(24-28-21)17-8-10-25(11-9-17)29(26,27)19-7-3-5-16(13-19)14-22/h2-7,12-13,17H,8-11H2,1H3