tert-butyl 4-[[5-(4-methylsulfonylpiperidin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(4-methylsulfonylpiperidin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(4-methylsulfonyl-1-piperidyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-(4-methylsulfonyl-1-piperidinyl)-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-methylsulfonylpiperidin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-mesylpiperidino)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H34N4O5S MolecularWeight: 454.58346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(N=C2)N3CCC(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(N=C2)N3CCC(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H34N4O5S/c1-21(2,3)30-20(26)25-9-5-16(6-10-25)15-29-19-14-22-18(13-23-19)24-11-7-17(8-12-24)31(4,27)28/h13-14,16-17H,5-12,15H2,1-4H3