tert-butyl 4-(2-methylsulfonylphenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methylsulfonylphenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-methylsulfonylbenzoyl)piperazine-1-carboxylate CAS Name: 4-[(2-methylsulfonylphenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-mesylbenzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C17H24N2O5S/c1-17(2,3)24-16(21)19-11-9-18(10-12-19)15(20)13-7-5-6-8-14(13)25(4,22)23/h5-8H,9-12H2,1-4H3