5-ethyl-3-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-ethyl-3-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]-1,2,4-oxadiazole Openeye Name: 3-[3-[(4-benzyl-1-piperidyl)sulfonyl]-4-methyl-phenyl]-5-ethyl-1,2,4-oxadiazole CAS Name: 5-ethyl-3-[4-methyl-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1,2,4-oxadiazole IUPAC Name: 3-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole Traditional Name: 3-[3-(4-benzylpiperidino)sulfonyl-4-methyl-phenyl]-5-ethyl-1,2,4-oxadiazole Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NO1)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=NC(=NO1)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-3-22-24-23(25-29-22)20-10-9-17(2)21(16-20)30(27,28)26-13-11-19(12-14-26)15-18-7-5-4-6-8-18/h4-10,16,19H,3,11-15H2,1-2H3