5-[4-[1-(3,3-dimethylbutyl)azetidin-3-yl]oxyphenyl]-2-methylsulfonyl-pyridine

Systemtic Name: 5-[4-[1-(3,3-dimethylbutyl)azetidin-3-yl]oxyphenyl]-2-methylsulfonyl-pyridine Openeye Name: 5-[4-[1-(3,3-dimethylbutyl)azetidin-3-yl]oxyphenyl]-2-methylsulfonyl-pyridine CAS Name: 5-[4-[[1-(3,3-dimethylbutyl)-3-azetidinyl]oxy]phenyl]-2-methylsulfonylpyridine IUPAC Name: 5-[4-[1-(3,3-dimethylbutyl)azetidin-3-yl]oxyphenyl]-2-methylsulfonylpyridine Traditional Name: 5-[4-[1-(3,3-dimethylbutyl)azetidin-3-yl]oxyphenyl]-2-mesyl-pyridine Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1CC(C1)OC2=CC=C(C=C2)C3=CN=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)CCN1CC(C1)OC2=CC=C(C=C2)C3=CN=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S/c1-21(2,3)11-12-23-14-19(15-23)26-18-8-5-16(6-9-18)17-7-10-20(22-13-17)27(4,24)25/h5-10,13,19H,11-12,14-15H2,1-4H3