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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S/c1-4-18(5-2)23(27)26-12-10-17(11-13-26)16-30-22-15-24-21(14-25-22)19-6-8-20(9-7-19)31(3,28)29/h6-9,14-15,17-18H,4-5,10-13,16H2,1-3H3