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

Systemtic Name: tert-butyl 4-[[5-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-mesyl-1,4-diazepan-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H35N5O5S MolecularWeight: 469.5981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(N=C2)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(N=C2)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H35N5O5S/c1-21(2,3)31-20(27)25-10-6-17(7-11-25)16-30-19-15-22-18(14-23-19)24-8-5-9-26(13-12-24)32(4,28)29/h14-15,17H,5-13,16H2,1-4H3