3,3-dimethyl-1-[4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1-piperidyl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[[5-(4-methylsulfonylphenyl)-2-pyrazinyl]oxymethyl]-1-piperidinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidin-1-yl]butan-1-one Traditional Name: 1-[4-[[5-(4-mesylphenyl)pyrazin-2-yl]oxymethyl]piperidino]-3,3-dimethyl-butan-1-one Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S/c1-23(2,3)13-22(27)26-11-9-17(10-12-26)16-30-21-15-24-20(14-25-21)18-5-7-19(8-6-18)31(4,28)29/h5-8,14-15,17H,9-13,16H2,1-4H3