tert-butyl 4-(2-methylphenyl)-2-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methylphenyl)-2-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-(2-methylsulfonyloxyethyl)-4-(o-tolyl)piperazine-1-carboxylate CAS Name: 4-(2-methylphenyl)-2-(2-methylsulfonyloxyethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methylphenyl)-2-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate Traditional Name: 2-(2-methylsulfonyloxyethyl)-4-(o-tolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(C(C2)CCOS(=O)(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(C(C2)CCOS(=O)(=O)C)C(=O)OC(C)(C)C

InChI

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