tert-butyl 3-methyl-4-methylsulfonyl-2-(phenylmethoxymethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-methyl-4-methylsulfonyl-2-(phenylmethoxymethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-(benzyloxymethyl)-3-methyl-4-methylsulfonyl-piperazine-1-carboxylate CAS Name: 3-methyl-4-methylsulfonyl-2-(phenylmethoxymethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-4-methylsulfonyl-2-(phenylmethoxymethyl)piperazine-1-carboxylate Traditional Name: 2-(benzoxymethyl)-4-mesyl-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C)C(=O)OC(C)(C)C)COCC2=CC=CC=C2

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)C(=O)OC(C)(C)C)COCC2=CC=CC=C2

InChI

InChI=1S/C19H30N2O5S/c1-15-17(14-25-13-16-9-7-6-8-10-16)20(18(22)26-19(2,3)4)11-12-21(15)27(5,23)24/h6-10,15,17H,11-14H2,1-5H3