3-[4-[3-(3-methyl-4-methylsulfonyl-phenoxy)propyl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole

Systemtic Name: 3-[4-[3-(3-methyl-4-methylsulfonyl-phenoxy)propyl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole Openeye Name: 5-isopropyl-3-[4-[3-(3-methyl-4-methylsulfonyl-phenoxy)propyl]-1-piperidyl]-1,2,4-oxadiazole CAS Name: 3-[4-[3-(3-methyl-4-methylsulfonylphenoxy)propyl]-1-piperidinyl]-5-propan-2-yl-1,2,4-oxadiazole IUPAC Name: 3-[4-[3-(3-methyl-4-methylsulfonylphenoxy)propyl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole Traditional Name: 5-isopropyl-3-[4-[3-(4-mesyl-3-methyl-phenoxy)propyl]piperidino]-1,2,4-oxadiazole Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC2CCN(CC2)C3=NOC(=N3)C(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC2CCN(CC2)C3=NOC(=N3)C(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H31N3O4S/c1-15(2)20-22-21(23-28-20)24-11-9-17(10-12-24)6-5-13-27-18-7-8-19(16(3)14-18)29(4,25)26/h7-8,14-15,17H,5-6,9-13H2,1-4H3