3-(3-methylphenyl)-5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-methylphenyl)-5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole Openeye Name: 3-(m-tolyl)-5-[(3R)-1-(p-tolylsulfonyl)-3-piperidyl]-1,2,4-oxadiazole CAS Name: 3-(3-methylphenyl)-5-[(3R)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-methylphenyl)-5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole Traditional Name: 3-(m-tolyl)-5-[(3R)-1-tosyl-3-piperidyl]-1,2,4-oxadiazole Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C3=NC(=NO3)C4=CC(=CC=C4)C

InChI

InChI=1S/C21H23N3O3S/c1-15-8-10-19(11-9-15)28(25,26)24-12-4-7-18(14-24)21-22-20(23-27-21)17-6-3-5-16(2)13-17/h3,5-6,8-11,13,18H,4,7,12,14H2,1-2H3/t18-/m1/s1