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

Systemtic Name: tert-butyl 4-[[5-(4-methylsulfonyl-2-oxidanylidene-piperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(4-methylsulfonyl-2-oxo-piperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-(4-methylsulfonyl-2-oxo-1-piperazinyl)-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-methylsulfonyl-2-oxopiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(2-keto-4-mesyl-piperazino)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H31N5O6S MolecularWeight: 469.55504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O6S/c1-20(2,3)31-19(27)23-7-5-15(6-8-23)14-30-17-12-21-16(11-22-17)25-10-9-24(13-18(25)26)32(4,28)29/h11-12,15H,5-10,13-14H2,1-4H3