tert-butyl 4-[[6-(4-methylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-(4-methylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridyl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[6-(4-methylsulfonyl-1-piperazinyl)-3-pyridinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(4-methylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-mesylpiperazino)-3-pyridyl]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=CN=C(C=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O5S/c1-21(2,3)30-20(26)24-9-7-17(8-10-24)16-29-18-5-6-19(22-15-18)23-11-13-25(14-12-23)31(4,27)28/h5-6,15,17H,7-14,16H2,1-4H3