3-methyl-1-[4-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-oxidanyl-butan-1-one

Systemtic Name: 3-methyl-1-[4-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-oxidanyl-butan-1-one Openeye Name: 3-hydroxy-3-methyl-1-[4-[[5-(4-methylsulfonylphenyl)-2-pyridyl]oxymethyl]-1-piperidyl]butan-1-one CAS Name: 3-hydroxy-3-methyl-1-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]-1-piperidinyl]-1-butanone IUPAC Name: 3-hydroxy-3-methyl-1-[4-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]butan-1-one Traditional Name: 3-hydroxy-1-[4-[[5-(4-mesylphenyl)-2-pyridyl]oxymethyl]piperidino]-3-methyl-butan-1-one Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCC(CC1)COC2=NC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CC(C)(CC(=O)N1CCC(CC1)COC2=NC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C23H30N2O5S/c1-23(2,27)14-22(26)25-12-10-17(11-13-25)16-30-21-9-6-19(15-24-21)18-4-7-20(8-5-18)31(3,28)29/h4-9,15,17,27H,10-14,16H2,1-3H3