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

Systemtic Name: tert-butyl 4-[[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-(4-methylsulfonyl-1-piperazinyl)-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-mesylpiperazino)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H33N5O5S MolecularWeight: 455.57152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(N=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(N=C2)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H33N5O5S/c1-20(2,3)30-19(26)24-7-5-16(6-8-24)15-29-18-14-21-17(13-22-18)23-9-11-25(12-10-23)31(4,27)28/h13-14,16H,5-12,15H2,1-4H3