3-methyl-1-[4-oxidanyl-4-[(phenylmethyl)sulfonylmethyl]piperidin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-oxidanyl-4-[(phenylmethyl)sulfonylmethyl]piperidin-1-yl]butan-1-one Openeye Name: 1-[4-(benzylsulfonylmethyl)-4-hydroxy-1-piperidyl]-3-methyl-butan-1-one CAS Name: 1-[4-hydroxy-4-[(phenylmethyl)sulfonylmethyl]-1-piperidinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(benzylsulfonylmethyl)-4-hydroxypiperidin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(benzylsulfonylmethyl)-4-hydroxy-piperidino]-3-methyl-butan-1-one Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)(CS(=O)(=O)CC2=CC=CC=C2)O

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)(CS(=O)(=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C18H27NO4S/c1-15(2)12-17(20)19-10-8-18(21,9-11-19)14-24(22,23)13-16-6-4-3-5-7-16/h3-7,15,21H,8-14H2,1-2H3